2-(3-chlorocyclopentyl)ethylbenzene

C13H17Cl — CID 64515887

IUPAC2-(3-chlorocyclopentyl)ethylbenzene
SMILESClC1CCC(CCc2ccccc2)C1
InChIInChI=1S/C13H17Cl/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyCWBIZTXNSMKLSY-UHFFFAOYSA-N
MW208.73 g/mol
LogP4.03
Rot. Bonds3

About 2-(3-chlorocyclopentyl)ethylbenzene

2-(3-chlorocyclopentyl)ethylbenzene (PubChem CID 64515887) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is 2-(3-chlorocyclopentyl)ethylbenzene.

Molecular Properties

Compound Name2-(3-chlorocyclopentyl)ethylbenzene
PubChem CID64515887
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name2-(3-chlorocyclopentyl)ethylbenzene
SMILESClC1CCC(CCc2ccccc2)C1
InChIInChI=1S/C13H17Cl/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
InChIKeyCWBIZTXNSMKLSY-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(3-chlorocyclopentyl)ethylbenzene 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 2-(3-chlorocyclopentyl)ethylbenzene?
The IUPAC name of 2-(3-chlorocyclopentyl)ethylbenzene (CID 64515887) is 2-(3-chlorocyclopentyl)ethylbenzene.
What is the SMILES notation for 2-(3-chlorocyclopentyl)ethylbenzene?
The canonical SMILES for 2-(3-chlorocyclopentyl)ethylbenzene is ClC1CCC(CCc2ccccc2)C1.
What is the InChIKey of 2-(3-chlorocyclopentyl)ethylbenzene?
The InChIKey is CWBIZTXNSMKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl/c14-13-9-8-12(10-13)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2.
What are the key properties of 2-(3-chlorocyclopentyl)ethylbenzene?
2-(3-chlorocyclopentyl)ethylbenzene has a molecular weight of 208.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorocyclopentyl)ethylbenzene is sourced from PubChem (CID 64515887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).