chempirical

Dihydroferulic acid

C10H12O4CAS 1135-23-5196.20 g/mol

Open in Covalent MOL file
OOHOHO
Carboxylic acidEtherPhenol

Properties

Molecular formula
C10H12O4
Molar mass
196.20 g/mol
Exact mass
196.0736 Da
Melting point
89–90 °C
Boiling point
120–130 °C (at 0.5 Torr)
logP
1.42Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
1135-23-5
SMILES
COc1cc(CCC(=O)O)ccc1O
InChIKey
BOLQJTPHPSDZHR-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzenepropanoic acid, 4-hydroxy-3-methoxy-
  • Hydrocinnamic acid, 4-hydroxy-3-methoxy-
  • 4-Hydroxy-3-methoxybenzenepropanoic acid
  • 3-Methoxyphloretic acid
  • Ferulic acid, α,β-dihydro-
  • Hydroferulic acid
  • β-3-Methoxy-4-hydroxyphenylpropionic acid
  • (4-Hydroxy-3-methoxyphenyl)propionic acid
  • β-(4-Hydroxy-3-methoxyphenyl)propionic acid
  • 3-Methoxy-4-hydroxyphenylpropionic acid
  • 3-(4-Hydroxy-3-methoxyphenyl)propionic acid
  • Shorbic acid
  • Dihydroconiferylic acid
  • 3-(3-Methoxy-4-hydroxyphenyl)propionic acid
  • 3-(3-Methoxy-4-hydroxyphenyl)propanoic acid
  • 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid
  • 3-(3′-Methoxy-4′-hydroxyphenyl)propionic acid

Work with Dihydroferulic 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

3-(3,4-Dimethoxyphenyl)propionic acid2107-70-276 % similar Homovanillic acid306-08-174 % similar Zingerone122-48-571 % similar Tetrahydrocurcumin36062-04-171 % similar Dihydrocaffeic acid1078-61-166 % similar 3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-265 % similar Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate61292-90-864 % similar 3-(4-Methoxyphenyl)propionic acid1929-29-962 % similar

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

Same formula

3-(4-Hydroxymethylphenoxy)propionic acid101366-61-4 2-(4-Methoxyphenoxy)propionic acid13794-15-5 2,5-Dimethoxyphenylacetic acid1758-25-4 Methyl 2,6-dimethoxybenzoate2065-27-2 2,3,4-Trimethoxybenzaldehyde2103-57-3 Methyl 3,5-dimethoxybenzoate2150-37-0 Methyl 3,4-dimethoxybenzoate2150-38-1 Methyl 2,4-dimethoxybenzoate2150-41-6

Elsewhere

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