chempirical

2-(2-Phenylethyl)benzoic acid

C15H14O2CAS 4890-85-1226.27 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C15H14O2
Molar mass
226.27 g/mol
Exact mass
226.0994 Da
Melting point
210–211 °C
logP
3.17Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
4890-85-1
SMILES
O=C(O)c1ccccc1CCc1ccccc1
InChIKey
IOHPVZBSOKLVMN-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)

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Names and synonyms

6 names
  • Benzoic acid, 2-(2-phenylethyl)-
  • Benzoic acid, o-phenethyl-
  • o-Phenethylbenzoic acid
  • 2-(2-Phenethyl)benzoic acid
  • 2-(Phenethyl)benzoic acid
  • 2-Bibenzylcarboxylic acid

Work with 2-(2-Phenylethyl)benzoic 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

Homophthalic acid89-51-059 % similar 2-(Phenoxymethyl)benzoic acid724-98-158 % similar 2-(Cyanomethyl)benzoic acid6627-91-457 % similar Phthalic acid88-99-357 % similar 2-(Benzyloxy)benzoic acid14389-86-754 % similar N-Benzylanthranilic acid6622-55-554 % similar Salicylic acid69-72-753 % similar 5,6,7,8-Tetrahydro-1-naphthalenecarboxylic acid4242-18-653 % similar

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

Same formula

2-Methyl 4-benzyloxybenzaldehyde101093-56-5 P-Cresyl phenylacetate101-94-0 Benzyl phenylacetate102-16-9 4'-Methoxy-2-phenylacetophenone1023-17-2 Methyl 4′-methylbiphenyl-2-carboxylate114772-34-8 3',4'-Dimethyl-biphenyl-4-carboxylic acid122294-09-1 1-[3-(Phenylmethoxy)phenyl]ethanone34068-01-4 Methyl α-phenylbenzeneacetate3469-00-9

Elsewhere

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