1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene

C24H28Cl2 — CID 19787051

IUPAC1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene
SMILESClc1ccc(-c2ccc(Cl)c(C3CCCCC3)c2)cc1C1CCCCC1
InChIInChI=1S/C24H28Cl2/c25-23-13-11-19(15-21(23)17-7-3-1-4-8-17)20-12-14-24(26)22(16-20)18-9-5-2-6-10-18/h11-18H,1-10H2
InChIKeyYRGWQJFCYZRVOU-UHFFFAOYSA-N
MW387.39 g/mol
LogP8.76
Rot. Bonds3

About 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene

1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene (PubChem CID 19787051) has the molecular formula C24H28Cl2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene
PubChem CID19787051
Molecular FormulaC24H28Cl2
Molecular Weight387.39 g/mol
Exact Mass386.16
IUPAC Name1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene
SMILESClc1ccc(-c2ccc(Cl)c(C3CCCCC3)c2)cc1C1CCCCC1
InChIInChI=1S/C24H28Cl2/c25-23-13-11-19(15-21(23)17-7-3-1-4-8-17)20-12-14-24(26)22(16-20)18-9-5-2-6-10-18/h11-18H,1-10H2
InChIKeyYRGWQJFCYZRVOU-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene?
The IUPAC name of 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene (CID 19787051) is 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene?
The canonical SMILES for 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene is Clc1ccc(-c2ccc(Cl)c(C3CCCCC3)c2)cc1C1CCCCC1.
What is the InChIKey of 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene?
The InChIKey is YRGWQJFCYZRVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2/c25-23-13-11-19(15-21(23)17-7-3-1-4-8-17)20-12-14-24(26)22(16-20)18-9-5-2-6-10-18/h11-18H,1-10H2.
What are the key properties of 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene?
1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene has a molecular weight of 387.39 g/mol, XLogP of 8.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chloro-3-cyclohexylphenyl)-2-cyclohexylbenzene is sourced from PubChem (CID 19787051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).