1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene

C39H60O2 — CID 59265311

IUPAC1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
SMILESCCCCCCC1CCC(CCC2CCC(c3ccc(OCCCCCCOc4ccc(C)cc4)cc3)CC2)CC1
InChIInChI=1S/C39H60O2/c1-3-4-5-8-11-33-14-16-34(17-15-33)18-19-35-20-22-36(23-21-35)37-24-28-39(29-25-37)41-31-10-7-6-9-30-40-38-26-12-32(2)13-27-38/h12-13,24-29,33-36H,3-11,14-23,30-31H2,1-2H3
InChIKeyFQLMROUWKMUGDK-UHFFFAOYSA-N
MW560.91 g/mol
LogP11.84
Rot. Bonds18

About 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene

1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene (PubChem CID 59265311) has the molecular formula C39H60O2 and a molecular weight of 560.91 g/mol. Its IUPAC name is 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene.

Molecular Properties

Compound Name1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
PubChem CID59265311
Molecular FormulaC39H60O2
Molecular Weight560.91 g/mol
Exact Mass560.46
IUPAC Name1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene
SMILESCCCCCCC1CCC(CCC2CCC(c3ccc(OCCCCCCOc4ccc(C)cc4)cc3)CC2)CC1
InChIInChI=1S/C39H60O2/c1-3-4-5-8-11-33-14-16-34(17-15-33)18-19-35-20-22-36(23-21-35)37-24-28-39(29-25-37)41-31-10-7-6-9-30-40-38-26-12-32(2)13-27-38/h12-13,24-29,33-36H,3-11,14-23,30-31H2,1-2H3
InChIKeyFQLMROUWKMUGDK-UHFFFAOYSA-N
XLogP11.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.91
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]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-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-heptylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539032
1-octoxy-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20538876
1-(4-nonylcyclohexyl)-4-(4-pentoxyphenyl)benzene
CID 20539126
1-(4-hexylcyclohexyl)-4-(4-octoxyphenyl)benzene
CID 20539136
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
9-[4-(4-pentylcyclohexyl)phenoxy]nonane-1-thiol
CID 102302760
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346
8-[4-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]phenoxy]octan-1-ol
CID 154928109

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene?
The IUPAC name of 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene (CID 59265311) is 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene.
What is the SMILES notation for 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene?
The canonical SMILES for 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene is CCCCCCC1CCC(CCC2CCC(c3ccc(OCCCCCCOc4ccc(C)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene?
The InChIKey is FQLMROUWKMUGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H60O2/c1-3-4-5-8-11-33-14-16-34(17-15-33)18-19-35-20-22-36(23-21-35)37-24-28-39(29-25-37)41-31-10-7-6-9-30-40-38-26-12-32(2)13-27-38/h12-13,24-29,33-36H,3-11,14-23,30-31H2,1-2H3.
What are the key properties of 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene?
1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene has a molecular weight of 560.91 g/mol, XLogP of 11.84, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexyl]-4-[6-(4-methylphenoxy)hexoxy]benzene is sourced from PubChem (CID 59265311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).