chempirical

Felbinac

C14H12O2CAS 5728-52-9212.25 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C14H12O2
Molar mass
212.25 g/mol
Exact mass
212.0837 Da
Melting point
160.5 °C
logP
2.98Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
5728-52-9
SMILES
O=C(O)Cc1ccc(-c2ccccc2)cc1
InChIKey
QRZAKQDHEVVFRX-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)

Weigh it out

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

Names and synonyms

22 names · show all
  • [1,1′-Biphenyl]-4-acetic acid
  • 4-Biphenylacetic acid
  • Acetic acid, (4-biphenylyl)-
  • p-Biphenylylacetic acid
  • 4-Biphenylylacetic acid
  • p-Biphenylacetic acid
  • 4-Carboxymethylbiphenyl
  • LY 61017
  • L 141
  • LJC 10141
  • Cl 83544
  • Traxam
  • 4-Phenylphenylacetic acid
  • BPAA
  • Seltouch
  • NSC 16284
  • 2-(Biphenyl-4-yl)acetic acid
  • ([1,1′-Biphenyl]-4-yl)acetic acid
  • 2-([1,1′-Biphenyl]-4-yl)acetic acid
  • (Biphenyl-4-yl)acetic acid
  • Felbion 35
  • 2-(4-Phenylphenyl)acetic acid

Work with Felbinac

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

Phenylacetic acid103-82-277 % similar 1,4-Benzenediacetic acid7325-46-472 % similar 2-(4-Phenylphenoxy)acetic acid13333-86-361 % similar 4-Hydroxyphenylacetic acid156-38-760 % similar 4-Benzyloxyphenylacetic acid6547-53-160 % similar 4-(Bromomethyl)phenylacetic acid13737-36-558 % similar 4-Iodophenylacetic acid1798-06-758 % similar (4-Chlorophenyl)acetic acid1878-66-658 % similar

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

Same formula

Diphenylacetic acid117-34-0 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 4'-Methylbiphenyl-3-carboxylic acid147404-69-1

Elsewhere

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