chempirical

1-[1,1′-Biphenyl]-4-yl-1-propanone

C15H14OCAS 37940-57-1210.28 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C15H14O
Molar mass
210.28 g/mol
Exact mass
210.1045 Da
Melting point
97 °C
Boiling point
280–300 °C (at 18 Torr)
logP
3.95Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
37940-57-1
SMILES
CCC(=O)c1ccc(-c2ccccc2)cc1
InChIKey
JMBGDQSXJHLFTO-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Propanone, 1-[1,1′-biphenyl]-4-yl-
  • Propiophenone, 4′-phenyl-
  • 4′-Phenylpropiophenone
  • p-Phenylpropiophenone
  • 4-Propionylbiphenyl
  • 4-Phenylpropiophenone
  • 1-(1,1′-Biphenyl-4-yl)propan-1-one
  • NSC 24800
  • 4-Propanoylbiphenyl
  • 1-(Biphenyl-4-yl)propan-1-one

Work with 1-[1,1′-Biphenyl]-4-yl-1-propanone

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

Propiophenone93-55-077 % similar 1-[1,1′-Biphenyl]-4-yl-1-butanone13211-01-368 % similar 1-[1,1′-Biphenyl]-4-yl-1-pentanone42916-73-464 % similar 1-[1,1′-Biphenyl]-4-yl-2-bromoethanone135-73-961 % similar 4-Phenylphenacyl chloride635-84-761 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-360 % similar 4′-Methylpropiophenone5337-93-960 % similar 4′-Bromopropiophenone10342-83-358 % similar

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

Same formula

Dibenzyl ketone102-04-5 Dihydrochalcone1083-30-3 2,4-Dimethylbenzophenone1140-14-3 4-Methoxystilbene1142-15-0 Dibenzosuberol1210-34-0 3,4'-Dimethylbenzophenone13152-94-8 4-Ethylbenzophenone18220-90-1 9,9-Dimethyl-9H-xanthene19814-75-6

Elsewhere

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