1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene

C13H15Cl — CID 65174957

IUPAC1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene
SMILESCCc1ccc(C2=CC(Cl)CC2)cc1
InChIInChI=1S/C13H15Cl/c1-2-10-3-5-11(6-4-10)12-7-8-13(14)9-12/h3-6,9,13H,2,7-8H2,1H3
InChIKeyWDAOVPZJUVGNNP-UHFFFAOYSA-N
MW206.72 g/mol
LogP4.03
Rot. Bonds2

About 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene

1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene (PubChem CID 65174957) has the molecular formula C13H15Cl and a molecular weight of 206.72 g/mol. Its IUPAC name is 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene.

Molecular Properties

Compound Name1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene
PubChem CID65174957
Molecular FormulaC13H15Cl
Molecular Weight206.72 g/mol
Exact Mass206.09
IUPAC Name1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene
SMILESCCc1ccc(C2=CC(Cl)CC2)cc1
InChIInChI=1S/C13H15Cl/c1-2-10-3-5-11(6-4-10)12-7-8-13(14)9-12/h3-6,9,13H,2,7-8H2,1H3
InChIKeyWDAOVPZJUVGNNP-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-chlorocyclopenten-1-yl)-4-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 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene?
The IUPAC name of 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene (CID 65174957) is 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene.
What is the SMILES notation for 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene?
The canonical SMILES for 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene is CCc1ccc(C2=CC(Cl)CC2)cc1.
What is the InChIKey of 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene?
The InChIKey is WDAOVPZJUVGNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl/c1-2-10-3-5-11(6-4-10)12-7-8-13(14)9-12/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene?
1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene has a molecular weight of 206.72 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclopenten-1-yl)-4-ethylbenzene is sourced from PubChem (CID 65174957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).