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

C12H14O5CAS 24160-53-0238.24 g/mol

Open in Covalent MOL file
OOOOOH
AlkeneCarboxylic acidEther

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 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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)

Weigh it out

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

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 2',5'-Dimethoxycinnamic acid161282-95-768 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-468 % similar 2,4-Dimethoxycinnamic acid6972-61-868 % similar 5-Bromo-2-methoxycinnamic acid40803-53-067 % similar trans-2-Methoxycinnamic acid1011-54-765 % similar 2-Methoxycinnamic acid6099-03-265 % similar 4,5-Dimethoxy-2-nitrocinnamic acid20567-38-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4,5-Trimethoxycinnamic acid20329-98-0 4-(4'-Formyl-3'-methoxyphenoxy)butyric acid309964-23-6 3-(2,3,4-Trimethoxyphenyl)-2-propenoic acid33130-03-9 3,4,5-Trimethoxycinnamic acid90-50-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook