1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene

C12H13Cl — CID 169282339

IUPAC1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene
SMILESC[C@]1(c2ccc(Cl)cc2)C=CCC1
InChIInChI=1S/C12H13Cl/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10/h2,4-8H,3,9H2,1H3/t12-/m0/s1
InChIKeyWXEVXFOCYANZRM-LBPRGKRZSA-N
MW192.69 g/mol
LogP3.95
Rot. Bonds1

About 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene

1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene (PubChem CID 169282339) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene
PubChem CID169282339
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene
SMILESC[C@]1(c2ccc(Cl)cc2)C=CCC1
InChIInChI=1S/C12H13Cl/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10/h2,4-8H,3,9H2,1H3/t12-/m0/s1
InChIKeyWXEVXFOCYANZRM-LBPRGKRZSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene 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-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene?
The IUPAC name of 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene (CID 169282339) is 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene.
What is the SMILES notation for 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene?
The canonical SMILES for 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene is C[C@]1(c2ccc(Cl)cc2)C=CCC1.
What is the InChIKey of 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene?
The InChIKey is WXEVXFOCYANZRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13Cl/c1-12(8-2-3-9-12)10-4-6-11(13)7-5-10/h2,4-8H,3,9H2,1H3/t12-/m0/s1.
What are the key properties of 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene?
1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene has a molecular weight of 192.69 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene is sourced from PubChem (CID 169282339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).