1-chloro-2-(3-chlorocyclohexyl)benzene

C12H14Cl2 — CID 64513324

IUPAC1-chloro-2-(3-chlorocyclohexyl)benzene
SMILESClc1ccccc1C1CCCC(Cl)C1
InChIInChI=1S/C12H14Cl2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h1-2,6-7,9-10H,3-5,8H2
InChIKeyJARYAJJJOGFXPL-UHFFFAOYSA-N
MW229.15 g/mol
LogP4.61
Rot. Bonds1

About 1-chloro-2-(3-chlorocyclohexyl)benzene

1-chloro-2-(3-chlorocyclohexyl)benzene (PubChem CID 64513324) has the molecular formula C12H14Cl2 and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-chloro-2-(3-chlorocyclohexyl)benzene.

Molecular Properties

Compound Name1-chloro-2-(3-chlorocyclohexyl)benzene
PubChem CID64513324
Molecular FormulaC12H14Cl2
Molecular Weight229.15 g/mol
Exact Mass228.05
IUPAC Name1-chloro-2-(3-chlorocyclohexyl)benzene
SMILESClc1ccccc1C1CCCC(Cl)C1
InChIInChI=1S/C12H14Cl2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h1-2,6-7,9-10H,3-5,8H2
InChIKeyJARYAJJJOGFXPL-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chlorocyclohexyl)benzene?
The IUPAC name of 1-chloro-2-(3-chlorocyclohexyl)benzene (CID 64513324) is 1-chloro-2-(3-chlorocyclohexyl)benzene.
What is the SMILES notation for 1-chloro-2-(3-chlorocyclohexyl)benzene?
The canonical SMILES for 1-chloro-2-(3-chlorocyclohexyl)benzene is Clc1ccccc1C1CCCC(Cl)C1.
What is the InChIKey of 1-chloro-2-(3-chlorocyclohexyl)benzene?
The InChIKey is JARYAJJJOGFXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2/c13-10-5-3-4-9(8-10)11-6-1-2-7-12(11)14/h1-2,6-7,9-10H,3-5,8H2.
What are the key properties of 1-chloro-2-(3-chlorocyclohexyl)benzene?
1-chloro-2-(3-chlorocyclohexyl)benzene has a molecular weight of 229.15 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-chlorocyclohexyl)benzene is sourced from PubChem (CID 64513324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).