1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene

C27H29Cl — CID 139710983

IUPAC1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2c(Cl)cccc2-c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H29Cl/c1-2-7-20-12-14-24(15-13-20)27-25(10-6-11-26(27)28)23-18-16-22(17-19-23)21-8-4-3-5-9-21/h3-6,8-11,16-20,24H,2,7,12-15H2,1H3
InChIKeyWHBBARBWYGUNBH-UHFFFAOYSA-N
MW388.98 g/mol
LogP8.75
Rot. Bonds5

About 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene

1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene (PubChem CID 139710983) has the molecular formula C27H29Cl and a molecular weight of 388.98 g/mol. Its IUPAC name is 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene
PubChem CID139710983
Molecular FormulaC27H29Cl
Molecular Weight388.98 g/mol
Exact Mass388.20
IUPAC Name1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2c(Cl)cccc2-c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C27H29Cl/c1-2-7-20-12-14-24(15-13-20)27-25(10-6-11-26(27)28)23-18-16-22(17-19-23)21-8-4-3-5-9-21/h3-6,8-11,16-20,24H,2,7,12-15H2,1H3
InChIKeyWHBBARBWYGUNBH-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.98
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)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-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-chloro-2-[4-(4-dodecylcyclohexyl)phenyl]benzene
CID 139911109
1-phenyl-2-propoxy-3,4-bis(4-propylcyclohexyl)benzene
CID 56626667
3-(4-cyanophenyl)-2-(4-propylcyclohexyl)benzoic acid
CID 21058882
3-cyclohexyl-1-pentyl-4-phenyl-2-(4-propylcyclohexyl)benzene
CID 173141669
(4-propylcyclohexyl)benzene
CID 155887669
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-chloro-2-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 139911116
1-(4-butylcyclohexyl)-4-phenylbenzene
CID 20638990
7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene
CID 162014078
1,3-difluoro-5-phenyl-2-(3-propylcyclopentyl)benzene
CID 175593221
2-phenyl-4-(4-propylcyclohexyl)benzoic acid
CID 154428118

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene (CID 139710983) is 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene is CCCC1CCC(c2c(Cl)cccc2-c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene?
The InChIKey is WHBBARBWYGUNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl/c1-2-7-20-12-14-24(15-13-20)27-25(10-6-11-26(27)28)23-18-16-22(17-19-23)21-8-4-3-5-9-21/h3-6,8-11,16-20,24H,2,7,12-15H2,1H3.
What are the key properties of 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene?
1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene has a molecular weight of 388.98 g/mol, XLogP of 8.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-phenylphenyl)-2-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 139710983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).