4-Methyl-4′-pentyl-1,1′-biphenyl

C₁₈H₂₂CAS 64835-63-8238.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₂
Molar mass: 238.37 g/mol
Exact mass: 238.1722 Da
logP: 5.39Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

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

Weigh it out

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

Names and synonyms

8 names

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-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 6Cb41122-70-758 % similar 4′-Heptyl-4-cyanobiphenyl41122-71-858 % similar 8Cb52709-84-958 % similar Decylbenzene104-72-354 % 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-Hexyl-1,1′-biphenyl59662-31-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook