1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone

C15H20O2 — CID 135043260

IUPAC1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone
SMILESCC(=O)C1C[C@](O)(Cc2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H20O2/c1-11-8-15(17,10-14(11)12(2)16)9-13-6-4-3-5-7-13/h3-7,11,14,17H,8-10H2,1-2H3/t11-,14?,15+/m0/s1
InChIKeyAZPHPYBRMVYJHD-AXWJTWPOSA-N
MW232.32 g/mol
LogP2.60
Rot. Bonds3

About 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone

1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone (PubChem CID 135043260) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone
PubChem CID135043260
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone
SMILESCC(=O)C1C[C@](O)(Cc2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H20O2/c1-11-8-15(17,10-14(11)12(2)16)9-13-6-4-3-5-7-13/h3-7,11,14,17H,8-10H2,1-2H3/t11-,14?,15+/m0/s1
InChIKeyAZPHPYBRMVYJHD-AXWJTWPOSA-N
XLogP2.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3965
2-Methyl-3-oxo-1-phenylcyclopentanecarboxylic acid
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(alphaR)-alpha-Methyl-4-(((1S)-2-oxocyclopentyl)methyl)benzeneacetic acid
CID 6603899
3-Hydroxy-4-[4-(2-methylpropyl)phenyl]cyclopent-2-en-1-one
CID 145975808
(3s,4s)-3-(3-Fluorophenyl)-4-(hydroxymethyl)cyclopentanone
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2-hydroxy-2-methyl-3H-inden-1-one
CID 2752951
(2S)-2-[4-[[(1R)-2-oxocyclopentyl]methyl]phenyl]propanoic acid
CID 13049026
(2R)-2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid
CID 13049030
5-Hydroxy-4-phenylpentan-2-one
CID 13333720
3-(1-Hydroxy-1-phenylethyl)cyclohexan-1-one
CID 126606696
Loxoprofen sodium hydrate
CID 129775102

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone?
The IUPAC name of 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone (CID 135043260) is 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone.
What is the SMILES notation for 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone?
The canonical SMILES for 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone is CC(=O)C1C[C@](O)(Cc2ccccc2)C[C@@H]1C.
What is the InChIKey of 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone?
The InChIKey is AZPHPYBRMVYJHD-AXWJTWPOSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-8-15(17,10-14(11)12(2)16)9-13-6-4-3-5-7-13/h3-7,11,14,17H,8-10H2,1-2H3/t11-,14?,15+/m0/s1.
What are the key properties of 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone?
1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone has a molecular weight of 232.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-benzyl-4-hydroxy-2-methylcyclopentyl]ethanone is sourced from PubChem (CID 135043260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).