1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene

C23H35Cl — CID 139724423

IUPAC1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
SMILESCCCCC1CCC(CC2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C23H35Cl/c1-2-3-4-18-5-7-19(8-6-18)17-20-9-11-21(12-10-20)22-13-15-23(24)16-14-22/h13-16,18-21H,2-12,17H2,1H3
InChIKeyQBXXYXZPXJOKTR-UHFFFAOYSA-N
MW346.99 g/mol
LogP8.00
Rot. Bonds6

About 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene

1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene (PubChem CID 139724423) has the molecular formula C23H35Cl and a molecular weight of 346.99 g/mol. Its IUPAC name is 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
PubChem CID139724423
Molecular FormulaC23H35Cl
Molecular Weight346.99 g/mol
Exact Mass346.24
IUPAC Name1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
SMILESCCCCC1CCC(CC2CCC(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C23H35Cl/c1-2-3-4-18-5-7-19(8-6-18)17-20-9-11-21(12-10-20)22-13-15-23(24)16-14-22/h13-16,18-21H,2-12,17H2,1H3
InChIKeyQBXXYXZPXJOKTR-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.99
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene 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-butylcyclohexyl)-4-chlorobenzene;1-chloro-4-(4-heptylcyclohexyl)benzene;1-chloro-4-(4-pentylcyclohexyl)benzene;1-chloro-4-(4-propylcyclohexyl)benzene
CID 160958151
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
CID 139724448
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
1-chloro-4-[[4-(4-heptylcyclohexyl)phenyl]methyl]benzene
CID 139748650
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-ethyl-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724446
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1-methoxy-4-[4-[(4-pentylcyclohexyl)methyl]cyclohexyl]benzene
CID 139724432
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
pentakis(4-(4-butylcyclohexyl)benzenethiol);pentahydrofluoride
CID 173376062
1-chloro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]benzene
CID 139629437

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene?
The IUPAC name of 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene (CID 139724423) is 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene.
What is the SMILES notation for 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene?
The canonical SMILES for 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene is CCCCC1CCC(CC2CCC(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene?
The InChIKey is QBXXYXZPXJOKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35Cl/c1-2-3-4-18-5-7-19(8-6-18)17-20-9-11-21(12-10-20)22-13-15-23(24)16-14-22/h13-16,18-21H,2-12,17H2,1H3.
What are the key properties of 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene?
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene has a molecular weight of 346.99 g/mol, XLogP of 8.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene is sourced from PubChem (CID 139724423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).