3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid

C₁₂H₁₄O₅CAS 24160-53-0238.24 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ether

Properties

Molecular formula: C₁₂H₁₄O₅
Molar mass: 238.24 g/mol
Exact mass: 238.0841 Da
Melting point: 163–165 °C
logP: 1.81Crippen estimate
Polar surface area: 65.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 5

Identifiers

CAS number

24160-53-0

SMILES

COc1cc(OC)c(OC)cc1C=CC(=O)O

InChIKey

XCEGAEUDHJEYRY-UHFFFAOYSA-N

InChI

InChI=1S/C12H14O5/c1-15-9-7-11(17-3)10(16-2)6-8(9)4-5-12(13)14/h4-7H,1-3H3,(H,13,14)

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Names and synonyms

4 names

2-Propenoic acid, 3-(2,4,5-trimethoxyphenyl)-
Cinnamic acid, 2,4,5-trimethoxy-
2,4,5-Trimethoxycinnamic acid
NSC 89300

Work with 3-(2,4,5-Trimethoxyphenyl)-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

3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-968 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-468 % similar 2,4-Dimethoxycinnamic acid6972-61-868 % similar trans-2-Methoxycinnamic acid1011-54-765 % similar 2-Methoxycinnamic acid6099-03-265 % similar 3,4-Dimethoxycinnamic acid14737-89-463 % similar 3′,4′-Dimethoxycinnamic acid2316-26-963 % similar 3-(2,3-Dimethoxyphenyl)-2-propenoic acid7461-60-160 % similar

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

Same formula

(E)-3,4,5-Trimethoxycinnamic acid20329-98-0 3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid33130-03-9 3,4,5-Trimethoxycinnamic acid90-50-6

Elsewhere

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