(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one

C13H16O2 — CID 101013744

IUPAC(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
SMILESCO[C@@H](c1ccccc1)[C@@H]1CCCC1=O
InChIInChI=1S/C13H16O2/c1-15-13(10-6-3-2-4-7-10)11-8-5-9-12(11)14/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-,13+/m1/s1
InChIKeyJECPKECYQZJMRB-YPMHNXCESA-N
MW204.27 g/mol
LogP2.74
Rot. Bonds3

About (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one

(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one (PubChem CID 101013744) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
PubChem CID101013744
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
SMILESCO[C@@H](c1ccccc1)[C@@H]1CCCC1=O
InChIInChI=1S/C13H16O2/c1-15-13(10-6-3-2-4-7-10)11-8-5-9-12(11)14/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-,13+/m1/s1
InChIKeyJECPKECYQZJMRB-YPMHNXCESA-N
XLogP2.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methoxy-(4-nitrophenyl)methyl]cyclohexan-1-one
CID 10956386
4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one
CID 11773029
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
(2R)-2-[(1R,2R)-1-hydroxy-2-(methoxymethoxy)-2-phenylethyl]cyclopentan-1-one
CID 135042856
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2S)-2-[(R)-nitro(phenyl)methyl]cyclohexan-1-one
CID 102034821
2-[3-(4-methoxyphenyl)-3-oxo-1-phenylpropyl]cyclopentan-1-one
CID 12542865
2-[(R)-hydroxy-(2-methoxyphenyl)methyl]cyclohexan-1-one
CID 132822025
2-[(4-methoxyanilino)-phenylmethyl]cycloheptan-1-one
CID 101057458
(2S)-2-(dimethoxymethyl)cyclohexan-1-one
CID 92982538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one?
The IUPAC name of (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one (CID 101013744) is (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one is CO[C@@H](c1ccccc1)[C@@H]1CCCC1=O.
What is the InChIKey of (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one?
The InChIKey is JECPKECYQZJMRB-YPMHNXCESA-N. The full InChI is InChI=1S/C13H16O2/c1-15-13(10-6-3-2-4-7-10)11-8-5-9-12(11)14/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one?
(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one is sourced from PubChem (CID 101013744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).