chempirical

Diphenylacetic acid

C14H12O2CAS 117-34-0212.25 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C14H12O2
Molar mass
212.25 g/mol
Exact mass
212.0837 Da
Melting point
147 °C
Boiling point
114 °C (at 0.05 Torr)
logP
2.90Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
117-34-0
SMILES
O=C(O)C(c1ccccc1)c1ccccc1
InChIKey
PYHXGXCGESYPCW-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)

Weigh it out

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

Names and synonyms

8 names
  • Benzeneacetic acid, α-phenyl-
  • Acetic acid, diphenyl-
  • α-Phenylbenzeneacetic acid
  • α,α-Diphenylacetic acid
  • 2,2-Diphenylacetic acid
  • Diphenylethanoic acid
  • NSC 120417
  • NSC 8742

Work with Diphenylacetic 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

Phenylmalonic acid2613-89-068 % similar (S)-Mandelic acid17199-29-063 % similar (-)-Mandelic acid611-71-263 % similar Mandelic acid611-72-363 % similar Mandelic acid90-64-263 % similar α-Fluorobenzeneacetic acid1578-63-861 % similar Phenylglycine2835-06-561 % similar L-Phenylglycine2935-35-561 % similar

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

Same formula

4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-7 Benzoin (organic compound)119-53-9 Benzyl benzoate120-51-4 3-(2-Methoxyphenyl)benzaldehyde122801-57-4 3-(3-Methoxyphenyl)benzaldehyde126485-58-3 2-Hydroxy-5-methylbenzophenone1470-57-1 p-Phenylphenyl acetate148-86-7 3-Benzyloxybenzaldehyde1700-37-4

Elsewhere

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