chempirical

4-Hexyl-1,1′-biphenyl

C18H22CAS 59662-31-6238.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H22
Molar mass
238.37 g/mol
Exact mass
238.1722 Da
Density
1.0152 g/mL (at 20 °C)
Melting point
25 °C
Boiling point
175–176 °C (at 3 Torr)
logP
5.48Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
59662-31-6
SMILES
CCCCCCc1ccc(-c2ccccc2)cc1
InChIKey
XRPVQXPWEVJKTN-UHFFFAOYSA-N
InChI
InChI=1S/C18H22/c1-2-3-4-6-9-16-12-14-18(15-13-16)17-10-7-5-8-11-17/h5,7-8,10-15H,2-4,6,9H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 1,1′-Biphenyl, 4-hexyl-
  • Biphenyl, 4-hexyl-
  • 4-Hexylbiphenyl
  • 1-Hexyl-4-phenylbenzene

Work with 4-Hexyl-1,1′-biphenyl

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

4-Pentyl-1,1′-biphenyl7116-96-396 % similar Decylbenzene104-72-375 % similar Hexylbenzene1077-16-375 % similar Heptylbenzene1078-71-375 % similar n-Nonylbenzene1081-77-275 % similar Dodecylbenzene123-01-375 % similar Tridecylbenzene123-02-475 % similar Hexadecylbenzene1459-09-275 % similar

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

Same formula

1,1′-Hexylidenebis[benzene]1530-04-7 2,3-Dimethyl-2,3-diphenylbutane1889-67-4 4-Methyl-4′-pentyl-1,1′-biphenyl64835-63-8

Elsewhere

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