2,2-Diphenylpropionic acid

C15H14O2CAS 5558-66-7226.28 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C15H14O2
Molar mass
226.28 g/mol
Exact mass
226.0994 Da
Melting point
176 °C
logP
3.08Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
5558-66-7
SMILES
CC(C(=O)O)(c1ccccc1)c1ccccc1
InChIKey
ODELFXJUOVNEFZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetic acid, α-methyl-α-phenyl-
  • Propionic acid, 2,2-diphenyl-
  • α-Methyl-α-phenylbenzeneacetic acid
  • α,α-Diphenylpropionic acid
  • 2,2-Diphenylpropanoic acid
  • NSC 82164

Work with 2,2-Diphenylpropionic 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

2-Methyl-2-phenylpropanoic acid826-55-164 % similar Atrolactic acid515-30-060 % similar Triphenylacetic acid595-91-559 % similar Benzilic acid76-93-755 % similar 2,2-Diphenylglycine3060-50-253 % similar 1-Phenylcyclopropanecarboxylic acid6120-95-253 % similar 2-Ethyl-2-phenylbutyric acid5465-28-153 % similar (S)-Methoxy(trifluoromethyl)phenylacetic acid17257-71-550 % 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-[2-(Benzyloxy)phenyl]ethan-1-one31165-67-0 1-(3-(Phenylmethoxy)phenyl)ethan-1-one34068-01-4

Elsewhere

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