chempirical

3-(2,5-Dimethoxyphenyl)-2-propenoic acid

C11H12O4CAS 10538-51-9208.21 g/mol

Open in Covalent MOL file
OOOOH
AlkeneCarboxylic acidEther

Properties

Molecular formula
C11H12O4
Molar mass
208.21 g/mol
Exact mass
208.0736 Da
Melting point
147 °C
logP
1.80Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
10538-51-9
SMILES
COc1ccc(OC)c(C=CC(=O)O)c1
InChIKey
JPQWWJZORKTMIZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/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

4 names
  • 2-Propenoic acid, 3-(2,5-dimethoxyphenyl)-
  • Cinnamic acid, 2,5-dimethoxy-
  • 2,5-Dimethoxycinnamic acid
  • 3-(2,5-Dimethoxyphenyl)acrylic acid

Work with 3-(2,5-Dimethoxyphenyl)-2-propenoic 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

2,4-Dimethoxycinnamic acid6972-61-879 % similar 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-068 % similar trans-2-Methoxycinnamic acid1011-54-767 % similar 2-Methoxycinnamic acid6099-03-267 % similar 3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid33130-03-965 % similar 4-Methoxycinnamic acid830-09-162 % similar trans-4-Methoxycinnamic acid943-89-562 % similar 3-Methoxycinnamic acid6099-04-360 % similar

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

Same formula

Ethyl caffeate102-37-4 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 3′,4′-Dimethoxycinnamic acid2316-26-9

Elsewhere

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