3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one

C16H17NO3 — CID 54686079

IUPAC3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H17NO3/c1-10(2)13-9-14(19)15(11(3)18)16(20)17(13)12-7-5-4-6-8-12/h4-10,19H,1-3H3
InChIKeyQXNLGEVTSNDUQA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.87
Rot. Bonds3

About 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one

3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one (PubChem CID 54686079) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one
PubChem CID54686079
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C16H17NO3/c1-10(2)13-9-14(19)15(11(3)18)16(20)17(13)12-7-5-4-6-8-12/h4-10,19H,1-3H3
InChIKeyQXNLGEVTSNDUQA-UHFFFAOYSA-N
XLogP2.87
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nicotinamide, 1,4-dihydro-2,6-dimethyl-N,1-diphenyl-4-oxo-
CID 3049733
4-hydroxy-3-isopropyl-1-phenyl-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 54682888
3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54693422
3-Ethyl-6-hydroxy-1,2-diphenylpyridin-4-one
CID 54708956
6-tert-butyl-3-(N-ethoxyethanimidoyl)-4-hydroxy-1-phenyl-2(1H)-pyridinone
CID 135401326
3-(N-ethoxyethanimidoyl)-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 135401339
2,6-Dimethyl-4-oxo-1-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 227374
Methyl 6-tert-butyl-4-hydroxy-2-oxo-1-phenyl-1,2-dihydro-3-pyridinecarboxylate
CID 54686065
3-acetyl-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 54687627
3-Oxo-N,N-diphenylbutanamide
CID 137633
2,4-Dimethyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid
CID 39870389
3-Butyl-3-hydroxy-2-phenyl-4,5-dihydroisoindol-1-one
CID 175418753

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one (CID 54686079) is 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one is CC(=O)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one?
The InChIKey is QXNLGEVTSNDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(2)13-9-14(19)15(11(3)18)16(20)17(13)12-7-5-4-6-8-12/h4-10,19H,1-3H3.
What are the key properties of 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one?
3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-phenyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 54686079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).