cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one

C12H14O2 — CID 131179314

IUPACcis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
SMILESC[C@@]1(c2ccccc2)C(=O)CC[C@@H]1O
InChIInChI=1S/C12H14O2/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(12)14/h2-6,10,13H,7-8H2,1H3/t10-,12-/m0/s1
InChIKeyUAYSXIQLGXJYLL-JQWIXIFHSA-N
MW190.24 g/mol
LogP1.67
Rot. Bonds1

About cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one

cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one (PubChem CID 131179314) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
PubChem CID131179314
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Namecis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
SMILESC[C@@]1(c2ccccc2)C(=O)CC[C@@H]1O
InChIInChI=1S/C12H14O2/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(12)14/h2-6,10,13H,7-8H2,1H3/t10-,12-/m0/s1
InChIKeyUAYSXIQLGXJYLL-JQWIXIFHSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
cis-(2S,3S)-3-hydroxy-2-methyl-2-(phenylmethoxymethyl)cyclopentan-1-one
CID 11230049
(2R,3R)-3-hydroxy-2-methyl-2-phenyl-3H-inden-1-one
CID 156789508
2,2,3-triphenylcyclopentan-1-one
CID 90111687
(3S,4S)-3,4-dimethyl-3-phenylpyrrolidine-2,5-dione
CID 921939
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
CID 175816739
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
(1S,3S)-2-methyl-2-phenyl-1,3-dihydroindene-1,3-diol
CID 125481717
3-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-3-phenylcyclohexane-1-carboxylic acid
CID 151401797

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one (CID 131179314) is cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one is C[C@@]1(c2ccccc2)C(=O)CC[C@@H]1O.
What is the InChIKey of cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one?
The InChIKey is UAYSXIQLGXJYLL-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(12)14/h2-6,10,13H,7-8H2,1H3/t10-,12-/m0/s1.
What are the key properties of cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one?
cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one has a molecular weight of 190.24 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one is sourced from PubChem (CID 131179314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).