4-Methyl-4′-pentyl-1,1′-biphenyl

C18H22CAS 64835-63-8238.37 g/mol

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Properties

Molecular formula
C18H22
Molar mass
238.37 g/mol
Exact mass
238.1722 Da
logP
5.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
64835-63-8
SMILES
CCCCCc1ccc(-c2ccc(C)cc2)cc1
InChIKey
ZGBOHJUSTPZQPL-UHFFFAOYSA-N
InChI
InChI=1S/C18H22/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3

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Names and synonyms

9 names
  • 1,1'-Biphenyl, 4-methyl-4'-pentyl-
  • 1,1′-Biphenyl, 4-methyl-4′-pentyl-
  • 4-Methyl-4′-pentylbiphenyl
  • 1-BB-5
  • 5-BB-1
  • 5-Ph-ph-1
  • PP-15
  • 5PP1
  • 1-(4-Methylphenyl)-4-pentyl-benzene

Work with 4-Methyl-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-Pentyl-1,1′-biphenyl7116-96-370 % similar 4-N-Nonylbiphenyl93972-01-168 % similar 4-Bromo-4'-pentylbiphenyl63619-59-063 % similar 4-Bromo-4'-N-heptylbiphenyl58573-93-661 % similar 4-Butyl-1,1'-biphenyl37909-95-861 % similar 4-Cyano-4′-pentylbiphenyl40817-08-159 % similar 4′′-Pentyl-4-cyano-p-terphenyl54211-46-059 % similar (4'-Pentyl[1,1'-biphenyl]-4-yl)-boronic acid121554-18-558 % 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 4,4'-Diisopropylbiphenyl18970-30-4 4-Hexyl-1,1′-biphenyl59662-31-6

Elsewhere

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