2-(2-chlorocyclohexyl)-1,4-dimethylbenzene

C14H19Cl — CID 63512125

IUPAC2-(2-chlorocyclohexyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2CCCCC2Cl)c1
InChIInChI=1S/C14H19Cl/c1-10-7-8-11(2)13(9-10)12-5-3-4-6-14(12)15/h7-9,12,14H,3-6H2,1-2H3
InChIKeyAXAISURVTVGSCX-UHFFFAOYSA-N
MW222.76 g/mol
LogP4.57
Rot. Bonds1

About 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene

2-(2-chlorocyclohexyl)-1,4-dimethylbenzene (PubChem CID 63512125) has the molecular formula C14H19Cl and a molecular weight of 222.76 g/mol. Its IUPAC name is 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(2-chlorocyclohexyl)-1,4-dimethylbenzene
PubChem CID63512125
Molecular FormulaC14H19Cl
Molecular Weight222.76 g/mol
Exact Mass222.12
IUPAC Name2-(2-chlorocyclohexyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C2CCCCC2Cl)c1
InChIInChI=1S/C14H19Cl/c1-10-7-8-11(2)13(9-10)12-5-3-4-6-14(12)15/h7-9,12,14H,3-6H2,1-2H3
InChIKeyAXAISURVTVGSCX-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 54.57
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 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene (CID 63512125) is 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene is Cc1ccc(C)c(C2CCCCC2Cl)c1.
What is the InChIKey of 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene?
The InChIKey is AXAISURVTVGSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl/c1-10-7-8-11(2)13(9-10)12-5-3-4-6-14(12)15/h7-9,12,14H,3-6H2,1-2H3.
What are the key properties of 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene?
2-(2-chlorocyclohexyl)-1,4-dimethylbenzene has a molecular weight of 222.76 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorocyclohexyl)-1,4-dimethylbenzene is sourced from PubChem (CID 63512125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).