1-chloro-2-(2-cyclohexylethyl)benzene

C14H19Cl — CID 57280256

IUPAC1-chloro-2-(2-cyclohexylethyl)benzene
SMILESClc1ccccc1CCC1CCCCC1
InChIInChI=1S/C14H19Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyZCPZVBXUQIIBFK-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.85
Rot. Bonds3

About 1-chloro-2-(2-cyclohexylethyl)benzene

1-chloro-2-(2-cyclohexylethyl)benzene (PubChem CID 57280256) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-chloro-2-(2-cyclohexylethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(2-cyclohexylethyl)benzene
PubChem CID57280256
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name1-chloro-2-(2-cyclohexylethyl)benzene
SMILESClc1ccccc1CCC1CCCCC1
InChIInChI=1S/C14H19Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2
InChIKeyZCPZVBXUQIIBFK-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-cyclohexylethyl)benzene?
The IUPAC name of 1-chloro-2-(2-cyclohexylethyl)benzene (CID 57280256) is 1-chloro-2-(2-cyclohexylethyl)benzene.
What is the SMILES notation for 1-chloro-2-(2-cyclohexylethyl)benzene?
The canonical SMILES for 1-chloro-2-(2-cyclohexylethyl)benzene is Clc1ccccc1CCC1CCCCC1.
What is the InChIKey of 1-chloro-2-(2-cyclohexylethyl)benzene?
The InChIKey is ZCPZVBXUQIIBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2.
What are the key properties of 1-chloro-2-(2-cyclohexylethyl)benzene?
1-chloro-2-(2-cyclohexylethyl)benzene has a molecular weight of 222.76 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-cyclohexylethyl)benzene is sourced from PubChem (CID 57280256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).