chempirical

4-Pentyl-1,1′-biphenyl

C17H20CAS 7116-96-3224.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C17H20
Molar mass
224.35 g/mol
Exact mass
224.1565 Da
Melting point
9–10.5 °C
Boiling point
142 °C (at 3 Torr)
logP
5.09Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
7116-96-3
SMILES
CCCCCc1ccc(-c2ccccc2)cc1
InChIKey
IFUOTAQBVGAZPR-UHFFFAOYSA-N
InChI
InChI=1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 1,1′-Biphenyl, 4-pentyl-
  • Biphenyl, 4-pentyl-
  • 4-Pentylbiphenyl
  • p-Amylbiphenyl
  • 1-Pentyl-4-phenylbenzene

Work with 4-Pentyl-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-Hexyl-1,1′-biphenyl59662-31-696 % similar 4-Propylbiphenyl10289-45-975 % similar Decylbenzene104-72-371 % similar Hexylbenzene1077-16-371 % similar Heptylbenzene1078-71-371 % similar n-Nonylbenzene1081-77-271 % similar Dodecylbenzene123-01-371 % similar Tridecylbenzene123-02-471 % similar

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

Elsewhere

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