chempirical

Methyl ferulate

C11H12O4CAS 2309-07-1208.21 g/mol

Open in Covalent MOL file
OOOHO
AlkeneEsterEtherPhenol

Properties

Molecular formula
C11H12O4
Molar mass
208.21 g/mol
Exact mass
208.0736 Da
Melting point
65 °C
Boiling point
163 °C (at 1 Torr)
logP
1.59Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
2309-07-1
SMILES
COC(=O)C=Cc1ccc(O)c(OC)c1
InChIKey
AUJXJFHANFIVKH-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester
  • Cinnamic acid, 4-hydroxy-3-methoxy-, methyl ester
  • Ferulic acid methyl ester
  • NSC 74548
  • Methyl 4′-hydroxy-3′-methoxycinnamate
  • 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid methyl ester

Work with Methyl ferulate

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

Methyl caffeate3843-74-174 % similar Ethyl ferulate4046-02-073 % similar Dehydrozingerone1080-12-269 % similar Ferulic acid1135-24-669 % similar Ferulic acid537-98-469 % similar Curcumin458-37-767 % similar Sodium ferulate24276-84-463 % similar Desmethoxycurcumin22608-11-360 % similar

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

Same formula

Ethyl caffeate102-37-4 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-9 Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate105560-93-8 3,4-Dimethoxycinnamic acid14737-89-4 6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one16135-41-4 (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-8 Methyl 4-methoxy-β-oxobenzenepropanoate22027-50-5

Elsewhere

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