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

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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).