chempirical

Methyl P-coumarate

C10H10O3CAS 3943-97-3178.19 g/mol

Open in Covalent MOL file
OOOH
AlkeneEsterPhenol

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
Melting point
139–140 °C
logP
1.58Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
3943-97-3
SMILES
COC(=O)C=Cc1ccc(O)cc1
InChIKey
NITWSHWHQAQBAW-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
  • Cinnamic acid, p-hydroxy-, methyl ester
  • Methyl p-hydroxycinnamate
  • Methyl 4-hydroxycinnamate
  • 4-Hydroxycinnamic acid methyl ester
  • p-Hydroxycinnamic acid methyl ester
  • p-Coumaric acid methyl ester
  • Methyl 4-coumarate
  • 3-(4-Hydroxyphenyl)-2-propenoic acid methyl ester
  • NSC 154578
  • Methyl 3-(4-hydroxyphenyl)acrylate

Work with Methyl P-coumarate

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

Methyl 3-(4-formylphenyl)-2-propenoate7560-50-168 % similar Methyl cinnamate103-26-467 % similar Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-366 % similar Methyl 4-methoxycinnamate832-01-966 % similar Methyl caffeate3843-74-165 % similar Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate946-99-661 % similar Methyl ferulate2309-07-159 % similar 1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-758 % similar

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

Same formula

trans-2-Methoxycinnamic acid1011-54-7 1-[4-(Acetyloxy)phenyl]ethanone13031-43-1 Ethyl benzoylformate1603-79-8 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 1-[3-(Acetyloxy)phenyl]ethanone2454-35-5 3,4-Methylenedioxypropiophenone28281-49-4 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-1

Elsewhere

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