chempirical

Isoferulic acid

C10H10O4CAS 537-73-5194.19 g/mol

Open in Covalent MOL file
OOOHHO
AlkeneCarboxylic acidEtherPhenol

Properties

Molecular formula
C10H10O4
Molar mass
194.19 g/mol
Exact mass
194.0579 Da
Melting point
125 °C
logP
1.50Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Identifiers

CAS number
537-73-5
SMILES
COc1ccc(C=CC(=O)O)cc1O
InChIKey
QURCVMIEKCOAJU-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-
  • Cinnamic acid, 3-hydroxy-4-methoxy-
  • 3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid
  • Hesperetic acid
  • 3-Hydroxy-4-methoxycinnamic acid
  • NSC 51987
  • 4-Methoxycaffeic acid
  • 4-O-Methylcaffeic acid

Work with Isoferulic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ferulic acid537-98-479 % similar 3,4-Dimethoxycinnamic acid14737-89-476 % similar 3′,4′-Dimethoxycinnamic acid2316-26-976 % similar Caffeic acid331-39-566 % similar Caffeic acid501-16-666 % similar 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-664 % similar Sinapinic acid530-59-663 % similar (E)-3,4,5-Trimethoxycinnamic acid20329-98-061 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Dihydroxybenzene diacetate108-58-7 Ferulic acid1135-24-6 1,4-Diacetoxybenzene1205-91-0 Dimethyl terephthalate120-61-6 Dimethyl phthalate131-11-3 Dimethyl isophthalate1459-93-4 Methyl 5-acetylsalicylate16475-90-4 Kakuol18607-90-4

Elsewhere

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