1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene

C32H48 — CID 20538887

IUPAC1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2ccc(C3CCC(CC(CC)CCCC)CC3)cc2)cc1
InChIInChI=1S/C32H48/c1-4-7-9-10-12-27-13-17-29(18-14-27)31-21-23-32(24-22-31)30-19-15-28(16-20-30)25-26(6-3)11-8-5-2/h13-14,17-18,21-24,26,28,30H,4-12,15-16,19-20,25H2,1-3H3
InChIKeyOLEFIPFBLNOSII-UHFFFAOYSA-N
MW432.74 g/mol
LogP10.36
Rot. Bonds13

About 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene

1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene (PubChem CID 20538887) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene.

Molecular Properties

Compound Name1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene
PubChem CID20538887
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Name1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene
SMILESCCCCCCc1ccc(-c2ccc(C3CCC(CC(CC)CCCC)CC3)cc2)cc1
InChIInChI=1S/C32H48/c1-4-7-9-10-12-27-13-17-29(18-14-27)31-21-23-32(24-22-31)30-19-15-28(16-20-30)25-26(6-3)11-8-5-2/h13-14,17-18,21-24,26,28,30H,4-12,15-16,19-20,25H2,1-3H3
InChIKeyOLEFIPFBLNOSII-UHFFFAOYSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-heptyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
CID 20538933
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-decyl-4-[4-[4-(3-methylbutyl)cyclohexyl]phenyl]benzene
CID 20539170
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
[4-[4-[4-(2-ethylhexyl)cyclohexyl]phenyl]phenyl] hexanoate
CID 20539135

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene?
The IUPAC name of 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene (CID 20538887) is 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene.
What is the SMILES notation for 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene?
The canonical SMILES for 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene is CCCCCCc1ccc(-c2ccc(C3CCC(CC(CC)CCCC)CC3)cc2)cc1.
What is the InChIKey of 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene?
The InChIKey is OLEFIPFBLNOSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48/c1-4-7-9-10-12-27-13-17-29(18-14-27)31-21-23-32(24-22-31)30-19-15-28(16-20-30)25-26(6-3)11-8-5-2/h13-14,17-18,21-24,26,28,30H,4-12,15-16,19-20,25H2,1-3H3.
What are the key properties of 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene?
1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene has a molecular weight of 432.74 g/mol, XLogP of 10.36, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylhexyl)cyclohexyl]-4-(4-hexylphenyl)benzene is sourced from PubChem (CID 20538887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).