chempirical

1-[1,1′-Biphenyl]-4-yl-1-pentanone

C17H18OCAS 42916-73-4238.33 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C17H18O
Molar mass
238.33 g/mol
Exact mass
238.1358 Da
Melting point
76–78 °C
logP
4.73Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
42916-73-4
SMILES
CCCCC(=O)c1ccc(-c2ccccc2)cc1
InChIKey
JXQDHVJDFYUJOK-UHFFFAOYSA-N
InChI
InChI=1S/C17H18O/c1-2-3-9-17(18)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h4-8,10-13H,2-3,9H2,1H3

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

Names and synonyms

6 names
  • 1-Pentanone, 1-[1,1′-biphenyl]-4-yl-
  • p-Phenylvalerophenone
  • 4-Pentanoylbiphenyl
  • 4-Valerylbiphenyl
  • 1-(4-Biphenylyl)-1-pentanone
  • 1-(4-Phenylphenyl)pentan-1-one

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

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-butanone13211-01-381 % similar Valerophenone1009-14-980 % similar Hexanophenone942-92-772 % similar Heptanophenone1671-75-670 % similar Octanophenone1674-37-970 % similar Dodecanophenone1674-38-070 % similar Nonanophenone6008-36-270 % similar Decanophenone6048-82-470 % similar

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

Same formula

4-tert-Butylbenzophenone22679-54-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook