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

C11H12O2 — CID 101445109

IUPAC(2S)-2-hydroxy-2-phenylcyclopentan-1-one
SMILESO=C1CCC[C@]1(O)c1ccccc1
InChIInChI=1S/C11H12O2/c12-10-7-4-8-11(10,13)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2/t11-/m0/s1
InChIKeyJLECCXUJWYXKRG-NSHDSACASA-N
MW176.22 g/mol
LogP1.63
Rot. Bonds1

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

(2S)-2-hydroxy-2-phenylcyclopentan-1-one (PubChem CID 101445109) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylcyclopentan-1-one
PubChem CID101445109
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(2S)-2-hydroxy-2-phenylcyclopentan-1-one
SMILESO=C1CCC[C@]1(O)c1ccccc1
InChIInChI=1S/C11H12O2/c12-10-7-4-8-11(10,13)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2/t11-/m0/s1
InChIKeyJLECCXUJWYXKRG-NSHDSACASA-N
XLogP1.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-hydroxy-2-naphthalen-2-ylcyclopentan-1-one
CID 102347696
2-(1,3-dithian-2-ylidene)-1-phenylcyclopentan-1-ol
CID 15305231
(2R)-2-(2-chlorophenyl)-2-hydroxycyclohexan-1-one
CID 76967267
2-methoxy-3-methyl-1-phenylcyclohex-2-en-1-ol
CID 135032106
(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
CID 102230862
8-phenyl-6,7-dihydro-5H-quinazolin-8-ol
CID 151829551
(2R)-2-hydroxy-2-(2-phenylethynyl)cyclopentan-1-one
CID 158919384
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
(3S,4aS,8aS)-3-hydroxy-3-phenyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-one
CID 125483700
2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
CID 122215213
2-(1-bromoethenyl)-2-phenylcyclohexan-1-one
CID 102390499
2-(2-oxo-1-phenylcyclopentyl)ethenylideneruthenium(1+)
CID 139255765

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylcyclopentan-1-one?
The IUPAC name of (2S)-2-hydroxy-2-phenylcyclopentan-1-one (CID 101445109) is (2S)-2-hydroxy-2-phenylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylcyclopentan-1-one?
The canonical SMILES for (2S)-2-hydroxy-2-phenylcyclopentan-1-one is O=C1CCC[C@]1(O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylcyclopentan-1-one?
The InChIKey is JLECCXUJWYXKRG-NSHDSACASA-N. The full InChI is InChI=1S/C11H12O2/c12-10-7-4-8-11(10,13)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2/t11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylcyclopentan-1-one?
(2S)-2-hydroxy-2-phenylcyclopentan-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.63, 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-phenylcyclopentan-1-one is sourced from PubChem (CID 101445109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).