chempirical

1-[1,1′-Biphenyl]-4-yl-1-butanone

C16H16OCAS 13211-01-3224.30 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C16H16O
Molar mass
224.30 g/mol
Exact mass
224.1201 Da
Melting point
94 °C
Boiling point
187–190 °C (at 1 Torr)
logP
4.34Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
13211-01-3
SMILES
CCCC(=O)c1ccc(-c2ccccc2)cc1
InChIKey
WOFNMZNJGZJHJO-UHFFFAOYSA-N
InChI
InChI=1S/C16H16O/c1-2-6-16(17)15-11-9-14(10-12-15)13-7-4-3-5-8-13/h3-5,7-12H,2,6H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 1-Butanone, 1-[1,1′-biphenyl]-4-yl-
  • Butyrophenone, 4′-phenyl-
  • p-Phenylbutyrophenone
  • 4′-Phenylbutyrophenone
  • 1-p-Biphenylyl-1-butanone
  • 4-Butyrylbiphenyl
  • NSC 24804
  • 4-Butanoylbiphenyl
  • 1-(4-Biphenylyl)-1-butanone
  • 1-(4-Phenylphenyl)butan-1-one

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

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

1-[1,1′-Biphenyl]-4-yl-1-pentanone42916-73-481 % similar Butyrophenone495-40-979 % similar 1-[1,1′-Biphenyl]-4-yl-1-propanone37940-57-168 % similar Valerophenone1009-14-963 % similar 1-(4-Methylphenyl)-1-butanone4160-52-563 % similar 4′-Hydroxybutyrophenone1009-11-661 % similar 1-(4-Aminophenyl)-1-butanone1688-71-761 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-961 % similar

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

Same formula

α-Cyclopropyl-α-phenylbenzenemethanol5785-66-0 2,4,6-Trimethylbenzophenone954-16-5

Elsewhere

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