1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one

C15H20O2 — CID 171934096

IUPAC1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
SMILESO=C(C1CCCCC1)C(CO)c1ccccc1
InChIInChI=1S/C15H20O2/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2
InChIKeyGUWDXLGNNUOEIP-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.91
Rot. Bonds4

About 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one

1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one (PubChem CID 171934096) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
PubChem CID171934096
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
SMILESO=C(C1CCCCC1)C(CO)c1ccccc1
InChIInChI=1S/C15H20O2/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2
InChIKeyGUWDXLGNNUOEIP-UHFFFAOYSA-N
XLogP2.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-cyclohexyl-2-phenylpropan-1-one
CID 138970657
2-amino-1-cyclohexyl-2-phenylethanone
CID 116551119
3-cyclohexyl-3-oxo-2-phenylpropanenitrile
CID 43156648
benzhydryl cyclohexanecarboxylate
CID 11254888
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534
(2S)-1-cyclobutyl-5-methyl-2-phenyldecan-1-one
CID 170769500
1-cyclobutyl-5-methyl-2-phenyldecan-1-one
CID 170769487
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol
CID 10683740
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one?
The IUPAC name of 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one (CID 171934096) is 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one?
The canonical SMILES for 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one is O=C(C1CCCCC1)C(CO)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one?
The InChIKey is GUWDXLGNNUOEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1,3-4,7-8,13-14,16H,2,5-6,9-11H2.
What are the key properties of 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one?
1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one has a molecular weight of 232.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one is sourced from PubChem (CID 171934096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).