5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one

C20H17NO3 — CID 54691801

IUPAC5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one
SMILESCC(=O)c1c(O)cc(=O)n(-c2ccccc2)c1-c1ccc(C)cc1
InChIInChI=1S/C20H17NO3/c1-13-8-10-15(11-9-13)20-19(14(2)22)17(23)12-18(24)21(20)16-6-4-3-5-7-16/h3-12,23H,1-2H3
InChIKeyOLRHXGCVXQWWQP-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.72
Rot. Bonds3

About 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one

5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one (PubChem CID 54691801) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one
PubChem CID54691801
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one
SMILESCC(=O)c1c(O)cc(=O)n(-c2ccccc2)c1-c1ccc(C)cc1
InChIInChI=1S/C20H17NO3/c1-13-8-10-15(11-9-13)20-19(14(2)22)17(23)12-18(24)21(20)16-6-4-3-5-7-16/h3-12,23H,1-2H3
InChIKeyOLRHXGCVXQWWQP-UHFFFAOYSA-N
XLogP3.72
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one
CID 54687627
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 15721861
3-[4-acetyl-2-(4-chlorophenyl)-5-methyl-1-(4-methylphenyl)pyrrol-3-yl]-4-hydroxypent-3-en-2-one
CID 138961600
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
1-[3-[2-(3-methylphenyl)phenyl]-1,5-diphenylpyrazol-4-yl]ethanone
CID 20821442
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
(5-acetyl-2,3-dimethyl-6-oxo-1-phenyl-4-pyridinyl) 4-methylbenzenesulfonate
CID 2786680
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
5-benzoyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54695653

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one?
The IUPAC name of 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one (CID 54691801) is 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one.
What is the SMILES notation for 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one?
The canonical SMILES for 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one is CC(=O)c1c(O)cc(=O)n(-c2ccccc2)c1-c1ccc(C)cc1.
What is the InChIKey of 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one?
The InChIKey is OLRHXGCVXQWWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-8-10-15(11-9-13)20-19(14(2)22)17(23)12-18(24)21(20)16-6-4-3-5-7-16/h3-12,23H,1-2H3.
What are the key properties of 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one?
5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one is sourced from PubChem (CID 54691801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).