(2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one

C12H14O2 — CID 102347691

IUPAC(2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one
SMILESCc1ccc([C@@]2(O)CCCC2=O)cc1
InChIInChI=1S/C12H14O2/c1-9-4-6-10(7-5-9)12(14)8-2-3-11(12)13/h4-7,14H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyBAWIROBZLSFGRZ-LBPRGKRZSA-N
MW190.24 g/mol
LogP1.94
Rot. Bonds1

About (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one

(2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one (PubChem CID 102347691) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one
PubChem CID102347691
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one
SMILESCc1ccc([C@@]2(O)CCCC2=O)cc1
InChIInChI=1S/C12H14O2/c1-9-4-6-10(7-5-9)12(14)8-2-3-11(12)13/h4-7,14H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyBAWIROBZLSFGRZ-LBPRGKRZSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-hydroxy-2-(4-methylphenyl)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

Atrolactic acid
CID 1303
(S)-Atrolactic acid
CID 445144
1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
CID 41122
4-(2-Hydroxypropan-2-yl)benzoic acid
CID 226122
(1S)-1-hydroxy-1-phenylpropan-2-one
CID 9815225
alpha-Cyclopentylmandelic acid
CID 98283
1-Hydroxy-1-phenyl-2-propanone
CID 92733
2-Hydroxy-2-phenylbutanoic acid
CID 287322
2-Hydroxy-1,2-diphenyl-1-propanone
CID 344693
Phenylacetylcarbinol, (-)-
CID 9920426
3-Hydroxy-3-phenylbutan-2-one
CID 233220
2-(4-Isobutylphenyl)-2-hydroxypropionic acid
CID 5228577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one?
The IUPAC name of (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one (CID 102347691) is (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one?
The canonical SMILES for (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one is Cc1ccc([C@@]2(O)CCCC2=O)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one?
The InChIKey is BAWIROBZLSFGRZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-4-6-10(7-5-9)12(14)8-2-3-11(12)13/h4-7,14H,2-3,8H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one?
(2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-(4-methylphenyl)cyclopentan-1-one is sourced from PubChem (CID 102347691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).