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

C24H35ClF2O — CID 139947205

IUPAC4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(Cl)cc3OC(F)F)CC2)CC1
InChIInChI=1S/C24H35ClF2O/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)22-15-14-21(25)16-23(22)28-24(26)27/h14-20,24H,2-13H2,1H3
InChIKeyWPCWRAVHLJSMJH-UHFFFAOYSA-N
MW412.99 g/mol
LogP8.60
Rot. Bonds8

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

4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (PubChem CID 139947205) has the molecular formula C24H35ClF2O and a molecular weight of 412.99 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Name4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
PubChem CID139947205
Molecular FormulaC24H35ClF2O
Molecular Weight412.99 g/mol
Exact Mass412.23
IUPAC Name4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(Cl)cc3OC(F)F)CC2)CC1
InChIInChI=1S/C24H35ClF2O/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)22-15-14-21(25)16-23(22)28-24(26)27/h14-20,24H,2-13H2,1H3
InChIKeyWPCWRAVHLJSMJH-UHFFFAOYSA-N
XLogP8.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.99
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]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

4-chloro-2-(difluoromethoxy)-1-[4-(4-hexylcyclohexyl)cyclohexyl]benzene
CID 139947282
1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947221
1-[4-(difluoromethoxy)-3-fluorophenoxy]-2,4-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 173305630
5-(4-butylcyclohexyl)-2-[4-chloro-2-(difluoromethoxy)phenyl]pyridine
CID 139947295
[4-chloro-2-(difluoromethoxy)phenyl] 4-(4-pentylcyclohexyl)benzoate
CID 139947277
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1-chloro-4-cyclopropyl-2-(difluoromethoxy)-5-ethylbenzene
CID 177001288
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139862461
(2,5-dichlorophenyl)-(4-propylcyclohexyl)methanamine
CID 65423953
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
4-[4-[4-[4-chloro-2-(difluoromethyl)phenyl]cyclohexyl]butyl]-1-pentylsilinane
CID 70184894

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The IUPAC name of 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (CID 139947205) is 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.
What is the SMILES notation for 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The canonical SMILES for 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is CCCC1CCC(CCC2CCC(c3ccc(Cl)cc3OC(F)F)CC2)CC1.
What is the InChIKey of 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The InChIKey is WPCWRAVHLJSMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClF2O/c1-2-3-17-4-6-18(7-5-17)8-9-19-10-12-20(13-11-19)22-15-14-21(25)16-23(22)28-24(26)27/h14-20,24H,2-13H2,1H3.
What are the key properties of 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene has a molecular weight of 412.99 g/mol, XLogP of 8.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is sourced from PubChem (CID 139947205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).