(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one

C12H13ClO — CID 102230862

IUPAC(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
SMILESO=C1CCC[C@]1(CCl)c1ccccc1
InChIInChI=1S/C12H13ClO/c13-9-12(8-4-7-11(12)14)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2/t12-/m0/s1
InChIKeyWPZRDQDXSYIBEO-LBPRGKRZSA-N
MW208.69 g/mol
LogP2.92
Rot. Bonds2

About (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one

(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one (PubChem CID 102230862) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
PubChem CID102230862
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
SMILESO=C1CCC[C@]1(CCl)c1ccccc1
InChIInChI=1S/C12H13ClO/c13-9-12(8-4-7-11(12)14)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2/t12-/m0/s1
InChIKeyWPZRDQDXSYIBEO-LBPRGKRZSA-N
XLogP2.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(chloromethyl)-2-(4-fluorophenyl)cyclopentan-1-one
CID 125477245
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
CID 122215213
(2R)-2-(azidomethyl)-2-phenylcyclopentan-1-one
CID 102230871
diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate
CID 132820039
2-(4-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
CID 146161588
(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
(2S)-2-phenyl-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-one
CID 101020127
(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
CID 102486502
(2S)-2-[(E,2S)-2,4-diphenylbut-3-enyl]-2-(4-fluorophenyl)cyclopentan-1-one
CID 138981189
2-(4-methylphenyl)-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
CID 122215209
2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
CID 146161599

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one?
The IUPAC name of (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one (CID 102230862) is (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one?
The canonical SMILES for (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one is O=C1CCC[C@]1(CCl)c1ccccc1.
What is the InChIKey of (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one?
The InChIKey is WPZRDQDXSYIBEO-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13ClO/c13-9-12(8-4-7-11(12)14)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2/t12-/m0/s1.
What are the key properties of (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one?
(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one has a molecular weight of 208.69 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one is sourced from PubChem (CID 102230862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).