Diphenylpropionic acid

C15H14O2CAS 606-83-7226.28 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
154–155 °C
logP
3.29Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
606-83-7
SMILES
O=C(O)CC(c1ccccc1)c1ccccc1
InChIKey
BZQGAPWJKAYCHR-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O2/c16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,16,17)

Weigh it out

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

Names and synonyms

7 names
  • Benzenepropanoic acid, β-phenyl-
  • Propionic acid, 3,3-diphenyl-
  • β-Phenylbenzenepropanoic acid
  • 3,3-Diphenylpropanoic acid
  • 3,3-Diphenylpropionic acid
  • NSC 631492
  • NSC 6797

Work with 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

3-Phenylglutaric acid4165-96-271 % similar 3-Phenylbutyric acid4593-90-267 % similar (+)-3-Amino-3-phenylpropanoic acid13921-90-965 % similar (-)-3-Amino-3-phenylpropanoic acid40856-44-865 % similar DL-β-Phenylalanine614-19-765 % similar (+)-Phenylsuccinic acid4036-30-063 % similar (R)-(-)-Phenylsuccinic acid46292-93-763 % similar Phenylsuccinic acid635-51-863 % 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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