(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one

C13H16O2 — CID 101389866

IUPAC(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
SMILESC[C@@]1(C(O)c2ccccc2)CCCC1=O
InChIInChI=1S/C13H16O2/c1-13(9-5-8-11(13)14)12(15)10-6-3-2-4-7-10/h2-4,6-7,12,15H,5,8-9H2,1H3/t12?,13-/m1/s1
InChIKeyIMQUAHFIEUBGDJ-ZGTCLIOFSA-N
MW204.27 g/mol
LogP2.48
Rot. Bonds2

About (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one

(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one (PubChem CID 101389866) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
PubChem CID101389866
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one
SMILESC[C@@]1(C(O)c2ccccc2)CCCC1=O
InChIInChI=1S/C13H16O2/c1-13(9-5-8-11(13)14)12(15)10-6-3-2-4-7-10/h2-4,6-7,12,15H,5,8-9H2,1H3/t12?,13-/m1/s1
InChIKeyIMQUAHFIEUBGDJ-ZGTCLIOFSA-N
XLogP2.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 101389868
(2S)-2-[(4-chlorophenyl)-hydroxymethyl]-2-methylcyclopentan-1-one
CID 101389876
2,6-bis[hydroxy(phenyl)methyl]-2-methylcyclohexan-1-one
CID 10853441
(2S)-2-methyl-2-[(1S)-2-nitroso-1-phenylethyl]cyclohexan-1-one
CID 163598073
(2S)-2-(1-hydroxy-3-phenylprop-2-ynyl)-2-methylcyclohexan-1-one
CID 101389872
2-(1-hydroxyethyl)-2-methylcyclohexan-1-one
CID 72760492
(2R)-2-hydroxy-2-[(1S)-1-methyl-2-oxocyclohexyl]acetic acid
CID 100985136
2-acetyl-2-(1-phenylethyl)cyclohexan-1-one
CID 135038981
5-[hydroxy(phenyl)methyl]-2,5-dimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11300907
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
(2S)-2-hydroxy-2-phenylcyclopentan-1-one
CID 101445109
2-bromo-2-[bromo(phenyl)methyl]cyclohexan-1-one
CID 15252359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one?
The IUPAC name of (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one (CID 101389866) is (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one?
The canonical SMILES for (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one is C[C@@]1(C(O)c2ccccc2)CCCC1=O.
What is the InChIKey of (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one?
The InChIKey is IMQUAHFIEUBGDJ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(9-5-8-11(13)14)12(15)10-6-3-2-4-7-10/h2-4,6-7,12,15H,5,8-9H2,1H3/t12?,13-/m1/s1.
What are the key properties of (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one?
(2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one has a molecular weight of 204.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[hydroxy(phenyl)methyl]-2-methylcyclopentan-1-one is sourced from PubChem (CID 101389866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).