2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one

C15H20O2 — CID 101241233

IUPAC2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H20O2/c1-11(13-9-5-6-10-14(13)16)15(17)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,16H,5-6,9-10H2,1H3/t11?,13-,14+/m0/s1
InChIKeyWGNBWUZROWABDW-SBKAZOPESA-N
MW232.32 g/mol
LogP3.06
Rot. Bonds3

About 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one

2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one (PubChem CID 101241233) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
PubChem CID101241233
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C15H20O2/c1-11(13-9-5-6-10-14(13)16)15(17)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,16H,5-6,9-10H2,1H3/t11?,13-,14+/m0/s1
InChIKeyWGNBWUZROWABDW-SBKAZOPESA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 134997515
(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one
CID 10353801
2-cyclopentyl-3-oxo-3-phenylpropanoic acid
CID 174799211
2-(1-cyclopropylethyl)-1-phenylbutane-1,3-dione
CID 118908365
2-bromo-3-cyclopentyl-1-phenylpropan-1-one
CID 11808108
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
2-(2-hydroxycyclohexyl)oxy-1,2-diphenylethanone
CID 175482213
2-(2-hydroxycyclohexyl)propanehydrazide
CID 130151990
cyclohexanol;1-phenylethanone
CID 22467660
benzoic acid;methylcyclopentane
CID 68907828

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one?
The IUPAC name of 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one (CID 101241233) is 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one.
What is the SMILES notation for 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one?
The canonical SMILES for 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one?
The InChIKey is WGNBWUZROWABDW-SBKAZOPESA-N. The full InChI is InChI=1S/C15H20O2/c1-11(13-9-5-6-10-14(13)16)15(17)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,16H,5-6,9-10H2,1H3/t11?,13-,14+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one?
2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one is sourced from PubChem (CID 101241233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).