chempirical

Methyl 4-hydroxycinnamate

C10H10O3CAS 19367-38-5178.19 g/mol

Open in Covalent MOL file
OOOH
AlkeneEsterPhenol

Properties

Molecular formula
C10H10O3
Molar mass
178.19 g/mol
Exact mass
178.0630 Da
logP
1.58Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
19367-38-5
SMILES
COC(=O)/C=C/C1=CC=C(C=C1)O
InChIKey
NITWSHWHQAQBAW-QPJJXVBHSA-N
InChI
InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+

Weigh it out

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

Names and synonyms

1 names
  • Methyl-P-coumarate

Work with Methyl 4-hydroxycinnamate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl p-coumarate3943-97-3Stereo not defined

Similar compounds

Methyl (2E)-3-(4-methylphenyl)-2-propenoate20754-20-568 % similar 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

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-Methoxycinnamic acid17570-26-2 5-(2-Furyl)cyclohexane-1,3-dione1774-11-4 3-Benzoylpropionic acid2051-95-8 2-(Acetyloxy)-1-phenylethanone2243-35-8 3-(Oxiran-2-ylmethoxy)benzaldehyde22590-64-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook