2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone

C13H15ClO — CID 135029704

IUPAC2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone
SMILESO=C(C[C@H]1CCCC1Cl)c1ccccc1
InChIInChI=1S/C13H15ClO/c14-12-8-4-7-11(12)9-13(15)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12?/m1/s1
InChIKeySBFVRSVWDOOLHB-JHJMLUEUSA-N
MW222.72 g/mol
LogP3.67
Rot. Bonds3

About 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone

2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone (PubChem CID 135029704) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone
PubChem CID135029704
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone
SMILESO=C(C[C@H]1CCCC1Cl)c1ccccc1
InChIInChI=1S/C13H15ClO/c14-12-8-4-7-11(12)9-13(15)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12?/m1/s1
InChIKeySBFVRSVWDOOLHB-JHJMLUEUSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone 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-[(1R)-2-chlorocyclopentyl]-1-phenylethanone?
The IUPAC name of 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone (CID 135029704) is 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone.
What is the SMILES notation for 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone?
The canonical SMILES for 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone is O=C(C[C@H]1CCCC1Cl)c1ccccc1.
What is the InChIKey of 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone?
The InChIKey is SBFVRSVWDOOLHB-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H15ClO/c14-12-8-4-7-11(12)9-13(15)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2/t11-,12?/m1/s1.
What are the key properties of 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone?
2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone has a molecular weight of 222.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-chlorocyclopentyl]-1-phenylethanone is sourced from PubChem (CID 135029704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).