Triphenylacetic acid

C20H16O2CAS 595-91-5288.35 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C20H16O2
Molar mass
288.35 g/mol
Exact mass
288.1150 Da
Melting point
265 °C
logP
4.11Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P501

Identifiers

CAS number
595-91-5
SMILES
O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
DCYGAPKNVCQNOE-UHFFFAOYSA-N
InChI
InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetic acid, α,α-diphenyl-
  • Acetic acid, triphenyl-
  • α,α-Diphenylbenzeneacetic acid
  • Triphenylmethanecarboxylic acid
  • NSC 61
  • 2,2,2-Triphenylacetic acid

Work with Triphenylacetic 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

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.

Vilanterol trifenatate503070-58-4Salt

Similar compounds

Benzilic acid76-93-762 % similar 2,2-Diphenylglycine3060-50-259 % similar 2,2-Diphenylpropionic acid5558-66-759 % similar 1-Phenylcyclopropanecarboxylic acid6120-95-259 % similar 2-Methyl-2-phenylpropanoic acid826-55-159 % similar Atrolactic acid515-30-055 % similar 1-Phenylcyclopentanecarboxylic acid77-55-455 % similar 4-Phenyl-4-piperidinecarboxylic acid3627-45-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Pyrenebutanoic acid3443-45-6 4-Benzyloxybenzophenone54589-41-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook