2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene

C24H32 — CID 175040539

IUPAC2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene
SMILESCCCCCc1ccc(-c2ccccc2)c(C2CCC(C)CC2)c1
InChIInChI=1S/C24H32/c1-3-4-6-9-20-14-17-23(21-10-7-5-8-11-21)24(18-20)22-15-12-19(2)13-16-22/h5,7-8,10-11,14,17-19,22H,3-4,6,9,12-13,15-16H2,1-2H3
InChIKeyHLNNTUITBYBDQF-UHFFFAOYSA-N
MW320.52 g/mol
LogP7.38
Rot. Bonds6

About 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene

2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene (PubChem CID 175040539) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene
PubChem CID175040539
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene
SMILESCCCCCc1ccc(-c2ccccc2)c(C2CCC(C)CC2)c1
InChIInChI=1S/C24H32/c1-3-4-6-9-20-14-17-23(21-10-7-5-8-11-21)24(18-20)22-15-12-19(2)13-16-22/h5,7-8,10-11,14,17-19,22H,3-4,6,9,12-13,15-16H2,1-2H3
InChIKeyHLNNTUITBYBDQF-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-octyl-4-(2-phenyl-5-propylphenyl)cyclohexane-1-carbonitrile
CID 172853869
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
(5-pentyl-2-phenylphenyl)boronic acid
CID 68778715
2-cyclobutyl-1-fluoro-4-pentylbenzene
CID 143474890
2,4-dimethyl-1-[4-[4-[3-methyl-4-(4-methylcyclohexyl)phenyl]butyl]phenyl]benzene
CID 59931400
4-pentyl-2-phenylphenol
CID 154147556
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
1,4-dimethyl-2-(4-methylcyclohexyl)-5-[4-[4-(4-methylphenyl)butyl]phenyl]benzene
CID 59931371
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
2-(4-hexylcyclohexyl)-1-phenyl-4-(trifluoromethoxy)benzene
CID 159707062
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene?
The IUPAC name of 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene (CID 175040539) is 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene.
What is the SMILES notation for 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene?
The canonical SMILES for 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene is CCCCCc1ccc(-c2ccccc2)c(C2CCC(C)CC2)c1.
What is the InChIKey of 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene?
The InChIKey is HLNNTUITBYBDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-3-4-6-9-20-14-17-23(21-10-7-5-8-11-21)24(18-20)22-15-12-19(2)13-16-22/h5,7-8,10-11,14,17-19,22H,3-4,6,9,12-13,15-16H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene?
2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene has a molecular weight of 320.52 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-4-pentyl-1-phenylbenzene is sourced from PubChem (CID 175040539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).