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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Depsides and depsidones (16)
Coumarins and derivatives (5)
Cinnamic acids and derivatives (4)
Phenylpropanoic acids (2)

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1 – 15 of 17 results
1

Pentafluorophenyl 4-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™

CAS: 915707-42-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.26 MDL Number: MFCD09702352 InChI Key: LGHZGIHYFYLEAC-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,perfluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-1-methylpyrazol-3-yl benzoate,4-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229473 SMILES: CN1C=CC(=N1)C1=CC=C(C=C1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F

PubChem CID 24229473
CAS 915707-42-5
Molecular Weight (g/mol) 368.26
MDL Number MFCD09702352
SMILES CN1C=CC(=N1)C1=CC=C(C=C1)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
Synonym pentafluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 4-1-methylpyrazol-3-yl benzoate,perfluorophenyl 4-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-1-methylpyrazol-3-yl benzoate,4-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester
InChI Key LGHZGIHYFYLEAC-UHFFFAOYSA-N
Molecular Formula C17H9F5N2O2
2

Pentafluorophenyl 3-(1-methyl-1H-pyrazol-3-yl)benzoate, 97%, Thermo Scientific™

CAS: 910037-11-5 Molecular Formula: C17H9F5N2O2 Molecular Weight (g/mol): 368.263 MDL Number: MFCD09065010 InChI Key: LGHVUZDAZTZCHC-UHFFFAOYSA-N Synonym: pentafluorophenyl 3-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-1-methylpyrazol-3-yl benzoate,3-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229633 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F

PubChem CID 24229633
CAS 910037-11-5
Molecular Weight (g/mol) 368.263
MDL Number MFCD09065010
SMILES CN1C=CC(=N1)C2=CC(=CC=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F
Synonym pentafluorophenyl 3-1-methyl-1h-pyrazol-3-yl benzoate,2,3,4,5,6-pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,pentafluorophenyl 3-1-methylpyrazol-3-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 3-1-methylpyrazol-3-yl benzoate,3-1-methyl-3-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 3-(1-methylpyrazol-3-yl)benzoate
InChI Key LGHVUZDAZTZCHC-UHFFFAOYSA-N
Molecular Formula C17H9F5N2O2
4

Pentafluorophenyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate, 97%, Thermo Scientific™

CAS: 941717-00-6 Molecular Formula: C18H11F5N2O2 Molecular Weight (g/mol): 382.29 MDL Number: MFCD09879978 InChI Key: GQQALUKKLLEHOR-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-3,5-dimethyl-1h-pyrazol-1-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate,pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-3,5-dimethylpyrazol-1-yl benzoate,4-3,5-dimethyl-1-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229762 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate SMILES: CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)C

PubChem CID 24229762
CAS 941717-00-6
Molecular Weight (g/mol) 382.29
MDL Number MFCD09879978
SMILES CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C(=C3F)F)F)F)F)C
Synonym pentafluorophenyl 4-3,5-dimethyl-1h-pyrazol-1-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate,pentafluorophenyl 4-3,5-dimethylpyrazol-1-yl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-3,5-dimethylpyrazol-1-yl benzoate,4-3,5-dimethyl-1-pyrazolyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate
InChI Key GQQALUKKLLEHOR-UHFFFAOYSA-N
Molecular Formula C18H11F5N2O2
7

4-(5-bromothien-2-yl)pyridine, 97%, Thermo Scientific™

CAS: 2199-93-1 Molecular Formula: C11H7BrO3 Molecular Weight (g/mol): 267.08 MDL Number: MFCD00024075 InChI Key: XFQYOFLFNKCHLG-UHFFFAOYSA-N Synonym: 3-acetyl-6-bromocoumarin,3-acetyl-6-bromo-2h-chromen-2-one,3-acetyl-6-bromo-chromen-2-one,2h-1-benzopyran-2-one,3-acetyl-6-bromo,3-acetyl-6-bromo-2-oxochromene,pubchem13336,maybridge1_000212,zerenex e/1034014,6-bromanyl-3-ethanoyl-chromen-2-one PubChem CID: 304813 IUPAC Name: 3-acetyl-6-bromochromen-2-one SMILES: CC(=O)C1=CC2=CC(Br)=CC=C2OC1=O

PubChem CID 304813
CAS 2199-93-1
Molecular Weight (g/mol) 267.08
MDL Number MFCD00024075
SMILES CC(=O)C1=CC2=CC(Br)=CC=C2OC1=O
Synonym 3-acetyl-6-bromocoumarin,3-acetyl-6-bromo-2h-chromen-2-one,3-acetyl-6-bromo-chromen-2-one,2h-1-benzopyran-2-one,3-acetyl-6-bromo,3-acetyl-6-bromo-2-oxochromene,pubchem13336,maybridge1_000212,zerenex e/1034014,6-bromanyl-3-ethanoyl-chromen-2-one
IUPAC Name 3-acetyl-6-bromochromen-2-one
InChI Key XFQYOFLFNKCHLG-UHFFFAOYSA-N
Molecular Formula C11H7BrO3
8

Pentafluorophenyl 2-(morpholinosulfonyl)benzoate, 97%, Thermo Scientific™

CAS: 950603-27-7 Molecular Formula: C17H12F5NO5S Molecular Weight (g/mol): 437.34 MDL Number: MFCD09879986 InChI Key: FDXYCKHOIXBDOA-UHFFFAOYSA-N Synonym: pentafluorophenyl 2-morpholinosulfonyl benzoate,pentafluorophenyl 2-morpholine-4-sulfonyl benzoate,2,3,4,5,6-pentafluorophenyl 2-morpholine-4-sulfonyl benzoate,pentafluorophenyl 2-morpholin-4-ylsulphonyl benzoate,2,3,4,5,6-pentafluorophenyl 2-morpholinosulfonylbenzoate,2,3,4,5,6-pentafluorophenyl 2-4-morpholinylsulfonyl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 2-morpholin-4-ylsulfonylbenzoate,2-4-morpholinylsulfonyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229773 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-morpholin-4-ylsulfonylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=CC=C2S(=O)(=O)N2CCOCC2)C(F)=C1F

PubChem CID 24229773
CAS 950603-27-7
Molecular Weight (g/mol) 437.34
MDL Number MFCD09879986
SMILES FC1=C(F)C(F)=C(OC(=O)C2=CC=CC=C2S(=O)(=O)N2CCOCC2)C(F)=C1F
Synonym pentafluorophenyl 2-morpholinosulfonyl benzoate,pentafluorophenyl 2-morpholine-4-sulfonyl benzoate,2,3,4,5,6-pentafluorophenyl 2-morpholine-4-sulfonyl benzoate,pentafluorophenyl 2-morpholin-4-ylsulphonyl benzoate,2,3,4,5,6-pentafluorophenyl 2-morpholinosulfonylbenzoate,2,3,4,5,6-pentafluorophenyl 2-4-morpholinylsulfonyl benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 2-morpholin-4-ylsulfonylbenzoate,2-4-morpholinylsulfonyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 2-morpholin-4-ylsulfonylbenzoate
InChI Key FDXYCKHOIXBDOA-UHFFFAOYSA-N
Molecular Formula C17H12F5NO5S
10

3-[4-(Trifluoromethoxy)phenyl]acrylic acid, 97%, Thermo Scientific™

CAS: 783-13-1 Molecular Formula: C10H7F3O3 Molecular Weight (g/mol): 232.158 MDL Number: MFCD00066338 InChI Key: RNYVTJANWYBGPW-ZZXKWVIFSA-N Synonym: 3-4-trifluoromethoxy phenyl acrylic acid,4-trifluoromethoxy cinnamic acid,e-3-4-trifluoromethoxy phenyl acrylic acid,e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,2e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,3-4-trifluoromethoxyphenyl acrylic acid,trifluoromethoxyphenylacrylicacid,trans-4-trifluoromethoxy cinnamic acid PubChem CID: 735857 IUPAC Name: (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid SMILES: C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F

PubChem CID 735857
CAS 783-13-1
Molecular Weight (g/mol) 232.158
MDL Number MFCD00066338
SMILES C1=CC(=CC=C1C=CC(=O)O)OC(F)(F)F
Synonym 3-4-trifluoromethoxy phenyl acrylic acid,4-trifluoromethoxy cinnamic acid,e-3-4-trifluoromethoxy phenyl acrylic acid,e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,2e-3-4-trifluoromethoxy phenyl prop-2-enoic acid,3-4-trifluoromethoxyphenyl acrylic acid,trifluoromethoxyphenylacrylicacid,trans-4-trifluoromethoxy cinnamic acid
IUPAC Name (E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid
InChI Key RNYVTJANWYBGPW-ZZXKWVIFSA-N
Molecular Formula C10H7F3O3
11

Pentafluorophenyl 4-morpholinobenzoate, 97%, Thermo Scientific™

CAS: 921938-51-4 Molecular Formula: C17H12F5NO3 Molecular Weight (g/mol): 373.28 MDL Number: MFCD09817462 InChI Key: UJYQDNSLPIRXRT-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229462 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F

PubChem CID 24229462
CAS 921938-51-4
Molecular Weight (g/mol) 373.28
MDL Number MFCD09817462
SMILES FC1=C(F)C(F)=C(OC(=O)C2=CC=C(C=C2)N2CCOCC2)C(F)=C1F
Synonym pentafluorophenyl 4-morpholin-4-ylbenzoate,pentafluorophenyl 4-morpholinobenzoate,pentafluorophenyl 4-morpholin-4-yl benzoate,2,3,4,5,6-pentafluorophenyl 4-morpholin-4-yl benzoate,perfluorophenyl 4-morpholinobenzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-morpholin-4-ylbenzoate,4-4-morpholinyl benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 4-morpholin-4-ylbenzoate
InChI Key UJYQDNSLPIRXRT-UHFFFAOYSA-N
Molecular Formula C17H12F5NO3
12

Pentafluorophenyl 4-(tetrahydropyran-4-yloxy)benzoate, 97%, Thermo Scientific™

CAS: 930110-97-7 Molecular Formula: C18H13F5O4 Molecular Weight (g/mol): 388.29 MDL Number: MFCD09702368 InChI Key: BDWCEFHYQPZQRO-UHFFFAOYSA-N Synonym: pentafluorophenyl 4-tetrahydropyran-4-yloxy benzoate,pentafluorophenyl 4-oxan-4-yloxy benzoate,pentafluorophenyl 4-oxan-4-yl oxy benzoate,2,3,4,5,6-pentafluorophenyl 4-oxan-4-yloxy benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-oxan-4-yloxy benzoate,4-4-oxanyloxy benzoic acid 2,3,4,5,6-pentafluorophenyl ester PubChem CID: 24229528 IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 4-(oxan-4-yloxy)benzoate SMILES: FC1=C(F)C(F)=C(OC(=O)C2=CC=C(OC3CCOCC3)C=C2)C(F)=C1F

PubChem CID 24229528
CAS 930110-97-7
Molecular Weight (g/mol) 388.29
MDL Number MFCD09702368
SMILES FC1=C(F)C(F)=C(OC(=O)C2=CC=C(OC3CCOCC3)C=C2)C(F)=C1F
Synonym pentafluorophenyl 4-tetrahydropyran-4-yloxy benzoate,pentafluorophenyl 4-oxan-4-yloxy benzoate,pentafluorophenyl 4-oxan-4-yl oxy benzoate,2,3,4,5,6-pentafluorophenyl 4-oxan-4-yloxy benzoate,2,3,4,5,6-pentakis fluoranyl phenyl 4-oxan-4-yloxy benzoate,4-4-oxanyloxy benzoic acid 2,3,4,5,6-pentafluorophenyl ester
IUPAC Name (2,3,4,5,6-pentafluorophenyl) 4-(oxan-4-yloxy)benzoate
InChI Key BDWCEFHYQPZQRO-UHFFFAOYSA-N
Molecular Formula C18H13F5O4
15

3-(2,4-Dichlorophenyl)propanoic acid, 97%, Thermo Scientific™

CAS: 55144-92-8 Molecular Formula: C9H8Cl2O2 Molecular Weight (g/mol): 219.061 MDL Number: MFCD00275605 InChI Key: HLNPVFSCAMKIOD-UHFFFAOYSA-N PubChem CID: 2740915 IUPAC Name: 3-(2,4-dichlorophenyl)propanoic acid SMILES: C1=CC(=C(C=C1Cl)Cl)CCC(=O)O

PubChem CID 2740915
CAS 55144-92-8
Molecular Weight (g/mol) 219.061
MDL Number MFCD00275605
SMILES C1=CC(=C(C=C1Cl)Cl)CCC(=O)O
IUPAC Name 3-(2,4-dichlorophenyl)propanoic acid
InChI Key HLNPVFSCAMKIOD-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O2