Alpha-phenylcinnamic acid

C₁₅H₁₂O₂CAS 91-48-5224.26 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₁₅H₁₂O₂
Molar mass: 224.26 g/mol
Exact mass: 224.0837 Da
Melting point: 170 °C
logP: 3.31Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

91-48-5

SMILES

O=C(O)/C(=C/c1ccccc1)c1ccccc1

InChIKey

BIDDLDNGQCUOJQ-SDNWHVSQSA-N

InChI

InChI=1S/C15H12O2/c16-15(17)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H,16,17)/b14-11+

Weigh it out

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

Names and synonyms

16 names · show all

Alpha-Phenylcinnamic acid, (E)-
Benzeneacetic acid, α-(phenylmethylene)-, (αE)-
Acrylic acid, 2,3-diphenyl-, (E)-
Benzeneacetic acid, α-(phenylmethylene)-, (E)-
Acrylic acid, 2,3-diphenyl-, trans-
(αE)-α-(Phenylmethylene)benzeneacetic acid
trans-2,3-Diphenylacrylic acid
trans-2,3-Diphenylpropenoic acid
trans-α-Phenylcinnamic acid
(E)-α-Stilbenecarboxylic acid
(E)-2,3-Diphenylpropenoic acid
(E)-α-(Phenylmethylene)benzeneacetic acid
(E)-α-Phenylcinnamic acid
(E)-2,3-Diphenyl-2-propenoic acid
(E)-2,3-Diphenylacrylic acid
trans-2,3-Diphenyl-2-propenoic acid

Work with Alpha-phenylcinnamic 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

α-Methylcinnamic acid1199-77-558 % similar 2-Fluoro-3-phenyl-2-propenoic acid350-90-358 % similar α-Cyanocinnamic acid1011-92-354 % similar Phenylglyoxylic acid611-73-452 % similar 2-(Acetylamino)-3-phenyl-2-propenoic acid5469-45-449 % similar α-Phenylacrylic acid492-38-648 % similar Triphenylethylene58-72-047 % similar Cinnamic acid140-10-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibenzoylmethane120-46-7 2′-Hydroxychalcone1214-47-7 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-8 4-Hydroxychalcone20426-12-4 4′-Hydroxychalcone2657-25-2 Phenyl cinnamate2757-04-2 2-Hydroxychalcone42224-53-3 (±)-Flavanone487-26-3

Elsewhere

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