1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene

C17H25Cl — CID 64766883

IUPAC1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene
SMILESCc1ccccc1C(C)(C)C1CCC(C)CC1Cl
InChIInChI=1S/C17H25Cl/c1-12-9-10-15(16(18)11-12)17(3,4)14-8-6-5-7-13(14)2/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyWRUCFUGYGWFSLG-UHFFFAOYSA-N
MW264.84 g/mol
LogP5.32
Rot. Bonds2

About 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene

1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene (PubChem CID 64766883) has the molecular formula C17H25Cl and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene
PubChem CID64766883
Molecular FormulaC17H25Cl
Molecular Weight264.84 g/mol
Exact Mass264.16
IUPAC Name1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene
SMILESCc1ccccc1C(C)(C)C1CCC(C)CC1Cl
InChIInChI=1S/C17H25Cl/c1-12-9-10-15(16(18)11-12)17(3,4)14-8-6-5-7-13(14)2/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyWRUCFUGYGWFSLG-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.84
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene?
The IUPAC name of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene (CID 64766883) is 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene?
The canonical SMILES for 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene is Cc1ccccc1C(C)(C)C1CCC(C)CC1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene?
The InChIKey is WRUCFUGYGWFSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl/c1-12-9-10-15(16(18)11-12)17(3,4)14-8-6-5-7-13(14)2/h5-8,12,15-16H,9-11H2,1-4H3.
What are the key properties of 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene?
1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene has a molecular weight of 264.84 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methylcyclohexyl)propan-2-yl]-2-methylbenzene is sourced from PubChem (CID 64766883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).