1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene

C27H43Cl — CID 54560708

IUPAC1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCCCCCC1CCC(C2CCC(CCc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C27H43Cl/c1-2-3-4-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(28)21-15-24/h14-15,20-23,25-26H,2-13,16-19H2,1H3
InChIKeyZQINCPMISFLFKS-UHFFFAOYSA-N
MW403.09 g/mol
LogP9.25
Rot. Bonds10

About 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene

1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene (PubChem CID 54560708) has the molecular formula C27H43Cl and a molecular weight of 403.09 g/mol. Its IUPAC name is 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
PubChem CID54560708
Molecular FormulaC27H43Cl
Molecular Weight403.09 g/mol
Exact Mass402.31
IUPAC Name1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
SMILESCCCCCCCC1CCC(C2CCC(CCc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C27H43Cl/c1-2-3-4-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(28)21-15-24/h14-15,20-23,25-26H,2-13,16-19H2,1H3
InChIKeyZQINCPMISFLFKS-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 59.25
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-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 54171729
4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzoic acid
CID 153328423
1-chloro-4-[4-[2-[4-(4-nonylphenyl)cyclohexyl]ethyl]phenyl]benzene
CID 54067509
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650
1-chloro-4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]benzene
CID 67787226
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene?
The IUPAC name of 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene (CID 54560708) is 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene is CCCCCCCC1CCC(C2CCC(CCc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene?
The InChIKey is ZQINCPMISFLFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43Cl/c1-2-3-4-5-6-7-22-10-16-25(17-11-22)26-18-12-23(13-19-26)8-9-24-14-20-27(28)21-15-24/h14-15,20-23,25-26H,2-13,16-19H2,1H3.
What are the key properties of 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene?
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene has a molecular weight of 403.09 g/mol, XLogP of 9.25, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene is sourced from PubChem (CID 54560708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).