2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

C15H19FO2 — CID 103450824

IUPAC2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FO2/c1-11-5-7-15(18,8-6-11)14(17)10-12-3-2-4-13(16)9-12/h2-4,9,11,18H,5-8,10H2,1H3
InChIKeyLTOWUOCOZRQHIF-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.88
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone

2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (PubChem CID 103450824) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
PubChem CID103450824
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
SMILESCC1CCC(O)(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FO2/c1-11-5-7-15(18,8-6-11)14(17)10-12-3-2-4-13(16)9-12/h2-4,9,11,18H,5-8,10H2,1H3
InChIKeyLTOWUOCOZRQHIF-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
2-(3,4-dichlorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450708
1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116607121
1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
CID 103450918
2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanone
CID 71582377
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
N-(1,4-dimethylcyclohexyl)-3-(3-fluorophenyl)propanamide
CID 86876241
2-(4-bromo-2-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450671
2-(3-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanone
CID 105080498
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone (CID 103450824) is 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is CC1CCC(O)(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
The InChIKey is LTOWUOCOZRQHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-11-5-7-15(18,8-6-11)14(17)10-12-3-2-4-13(16)9-12/h2-4,9,11,18H,5-8,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone?
2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone has a molecular weight of 250.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone is sourced from PubChem (CID 103450824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).