2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone

C15H20O2 — CID 103458039

IUPAC2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
SMILESCC1CCCC(C(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C15H20O2/c1-11-6-5-9-13(10-11)15(17)14(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,16H,5-6,9-10H2,1H3
InChIKeyNUBJPNARTIYZRG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.12
Rot. Bonds3

About 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone

2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone (PubChem CID 103458039) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
PubChem CID103458039
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
SMILESCC1CCCC(C(=O)C(O)c2ccccc2)C1
InChIInChI=1S/C15H20O2/c1-11-6-5-9-13(10-11)15(17)14(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,16H,5-6,9-10H2,1H3
InChIKeyNUBJPNARTIYZRG-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-methylcyclohexyl]-phenylmethanone
CID 134867416
N-[(2S)-2-amino-2-phenylethyl]-3-methylcyclohexane-1-carboxamide
CID 129071865
(3-methylcyclohexyl)-(2-methylphenyl)methanone
CID 54592977
trans-(1S,3S)-3-methylcyclohexane-1-carboxylic acid
CID 86308884
2-amino-1-(3-methylcyclohexyl)-2-thiophen-2-ylethanone
CID 116601534
2,3-dimethyl-1-(3-methylcyclohexyl)butan-1-one
CID 114976325
2-(3-methylcyclohexyl)-1-phenylpropan-1-ol
CID 104846164
2-(3-methylcyclohexyl)sulfanylbenzoic acid
CID 62721517
2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
CID 61446146
[2-(2-aminopropanoylamino)-2-phenylethyl] 3-methylcyclohexane-1-carboxylate
CID 145335708
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone (CID 103458039) is 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone is CC1CCCC(C(=O)C(O)c2ccccc2)C1.
What is the InChIKey of 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone?
The InChIKey is NUBJPNARTIYZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-6-5-9-13(10-11)15(17)14(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,16H,5-6,9-10H2,1H3.
What are the key properties of 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone?
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone has a molecular weight of 232.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone is sourced from PubChem (CID 103458039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).