6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one

C17H20FNO2 — CID 82519583

IUPAC6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1c(-c2ccc(F)cc2)ccc(C(C)(C)O)c1=O
InChIInChI=1S/C17H20FNO2/c1-11(2)19-15(12-5-7-13(18)8-6-12)10-9-14(16(19)20)17(3,4)21/h5-11,21H,1-4H3
InChIKeyLKUWDFZKEDLLCG-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.46
Rot. Bonds3

About 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one

6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one (PubChem CID 82519583) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one
PubChem CID82519583
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1c(-c2ccc(F)cc2)ccc(C(C)(C)O)c1=O
InChIInChI=1S/C17H20FNO2/c1-11(2)19-15(12-5-7-13(18)8-6-12)10-9-14(16(19)20)17(3,4)21/h5-11,21H,1-4H3
InChIKeyLKUWDFZKEDLLCG-UHFFFAOYSA-N
XLogP3.46
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxypropan-2-yl)-6-(4-methoxyphenyl)-1-propan-2-ylpyridin-2-one
CID 82518078
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-methylpyridin-2-one
CID 82519641
3-amino-6-(4-fluorophenyl)-1-propan-2-ylpyridin-2-one
CID 82466922
6-(4-fluorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carboxylic acid
CID 82099792
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1H-pyridin-2-one
CID 82519671
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonyl chloride
CID 82519475
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82444919
1-butan-2-yl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82519490
3-(2-hydroxypropan-2-yl)-6-phenyl-1-propylpyridin-2-one
CID 82521239
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one (CID 82519583) is 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one is CC(C)n1c(-c2ccc(F)cc2)ccc(C(C)(C)O)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one?
The InChIKey is LKUWDFZKEDLLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11(2)19-15(12-5-7-13(18)8-6-12)10-9-14(16(19)20)17(3,4)21/h5-11,21H,1-4H3.
What are the key properties of 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one?
6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one has a molecular weight of 289.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(2-hydroxypropan-2-yl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82519583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).