chempirical

(2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid

C11H12O4CAS 16909-09-4208.21 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
138 °C
logP
1.80Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
16909-09-4
SMILES
COc1ccc(/C=C/C(=O)O)c(OC)c1
InChIKey
YIKHDPHTFYWYJV-GQCTYLIASA-N
InChI
InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (2E)-
  • Cinnamic acid, 2,4-dimethoxy-, (E)-
  • 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)-
  • 2,4-Dimethoxycinnamic acid, (E)-
  • (E)-2,4-Dimethoxycinnamic acid
  • trans-2,4-Dimethoxycinnamic acid
  • (E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid

Work with (2E)-3-(2,4-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 acid6972-61-8100 % 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 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 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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