chempirical

3′,4′-Dimethoxycinnamic acid

C11H12O4CAS 2316-26-9208.21 g/mol

Open in Covalent MOL file
OOOHO
AlkeneCarboxylic acidEther

Properties

Molecular formula
C11H12O4
Molar mass
208.21 g/mol
Exact mass
208.0736 Da
Melting point
181–183 °C
logP
1.80Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
2316-26-9
SMILES
COc1ccc(C=CC(=O)O)cc1OC
InChIKey
HJBWJAPEBGSQPR-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3,(H,12,13)

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

Names and synonyms

13 names · show all
  • 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-
  • Cinnamic acid, 3,4-dimethoxy-
  • 3-(3,4-Dimethoxyphenyl)-2-propenoic acid
  • 3,4-Dimethoxycinnamic acid
  • Caffeic acid dimethyl ether
  • 3,4-Dimethoxyphenyl-2-propenoic acid
  • Methylferulic acid
  • O,O-Dimethylcaffeic acid
  • O-Methylferulic acid
  • 3,4-Di-O-methylcaffeic acid
  • NSC 4323
  • NSC 43569
  • 3-(3,4-Dimethoxyphenyl)acrylic acid

Work with 3′,4′-Dimethoxycinnamic 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-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-678 % similar Ferulic acid1135-24-676 % similar Isoferulic acid537-73-576 % similar Ferulic acid537-98-476 % similar (E)-3,4,5-Trimethoxycinnamic acid20329-98-070 % similar 3,4,5-Trimethoxycinnamic acid90-50-670 % similar Sinapinic acid530-59-668 % similar 4-Methoxycinnamic acid830-09-165 % 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 (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 Methyl ferulate2309-07-1

Elsewhere

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