3-[1,1′-Biphenyl]-4-yl-2-propenoic acid

C15H12O2CAS 13026-23-8224.26 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C15H12O2
Molar mass
224.26 g/mol
Exact mass
224.0837 Da
Melting point
225 °C
logP
3.45Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
13026-23-8
SMILES
O=C(O)C=Cc1ccc(-c2ccccc2)cc1
InChIKey
DMJDEZUEYXVYNO-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C15H13O2 225.0910
[M + Na]+
[M + Na]+ Calcd for C15H12NaO2 247.0730
[M − H]−
[M − H]− Calcd for C15H11O2 223.0765
Elemental analysis
Anal. Calcd for C15H12O2: C, 80.34; H, 5.39.

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Names and synonyms

7 names
  • 2-Propenoic acid, 3-[1,1′-biphenyl]-4-yl-
  • Cinnamic acid, p-phenyl-
  • 4-Phenylcinnamic acid
  • [1,1′-Biphenyl]-4-acrylic acid
  • p-Phenylcinnamic acid
  • 3-Biphenyl-4-ylacrylic acid
  • 3-(1,1′-Biphenyl-4-yl)acrylic acid

Work with 3-[1,1′-Biphenyl]-4-yl-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

(E)-Cinnamic acid140-10-379 % similar Cinnamic acid621-82-979 % similar p-Phenylenediacrylic acid16323-43-674 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-263 % similar (E)-P-Coumaric acid501-98-463 % similar p-Coumaric acid7400-08-063 % similar 4-Bromocinnamic acid1200-07-361 % similar trans-4-Fluorocinnamic acid14290-86-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dibenzoylmethane120-46-7 2′-Hydroxychalcone1214-47-7 4-Hydroxychalcone20426-12-4 4′-Hydroxychalcone2657-25-2 Phenyl cinnamate2757-04-2 2-Hydroxychalcone42224-53-3 (±)-Flavanone487-26-3 Chalcone epoxide5411-12-1

Elsewhere

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