(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one

C16H22O2 — CID 134997515

IUPAC(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C16H22O2/c1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16,18H,3,6-7,10-11H2,1H3/t12-,16?/m0/s1
InChIKeyPIBLHZAVEPUFNE-HKALDPMFSA-N
MW246.35 g/mol
LogP3.45
Rot. Bonds4

About (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one

(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one (PubChem CID 134997515) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
PubChem CID134997515
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one
SMILESC[C@@H](C(=O)c1ccccc1)C(O)C1CCCCC1
InChIInChI=1S/C16H22O2/c1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16,18H,3,6-7,10-11H2,1H3/t12-,16?/m0/s1
InChIKeyPIBLHZAVEPUFNE-HKALDPMFSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-phenylpropan-1-one
CID 104844954
phenyl 3-cyclohexyl-3-hydroxy-2-methylpropanoate
CID 72790163
(E,4R,5S)-5-cyclohexyl-5-hydroxy-4-methyl-1-phenylpent-1-en-3-one
CID 11459971
2-cyclopentyl-3-oxo-3-phenylpropanoic acid
CID 174799211
(1R,2R,3R)-1-cyclohexyl-2-methyl-3-phenylpropane-1,3-diol
CID 101021002
2-[(1S,2R)-2-hydroxycyclohexyl]-1-phenylpropan-1-one
CID 101241233
2-amino-2-cyclobutyl-1-phenylethanone
CID 54531092
2-(1-cyclopropylethyl)-1-phenylbutane-1,3-dione
CID 118908365
(1S,2R)-1-cyclohexyl-2-methyl-3-phenylsulfanylbut-3-en-1-ol
CID 101265602
N'-[(2S)-2-cyclohexylpropanoyl]benzohydrazide
CID 90371495
(3S)-3-[(2S)-1-oxo-1-phenylpropan-2-yl]cyclohexan-1-one
CID 10353801
(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
CID 101260297

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The IUPAC name of (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one (CID 134997515) is (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one is C[C@@H](C(=O)c1ccccc1)C(O)C1CCCCC1.
What is the InChIKey of (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one?
The InChIKey is PIBLHZAVEPUFNE-HKALDPMFSA-N. The full InChI is InChI=1S/C16H22O2/c1-12(15(17)13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2,4-5,8-9,12,14,16,18H,3,6-7,10-11H2,1H3/t12-,16?/m0/s1.
What are the key properties of (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one?
(2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-3-hydroxy-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 134997515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).