3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one

C20H17NO3 — CID 54687627

IUPAC3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one
SMILESCC(=O)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H17NO3/c1-13-18(15-9-5-3-6-10-15)21(16-11-7-4-8-12-16)20(24)17(14(2)22)19(13)23/h3-12,23H,1-2H3
InChIKeyAFOGJAQGTIJRSW-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.72
Rot. Bonds3

About 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one

3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one (PubChem CID 54687627) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one
PubChem CID54687627
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one
SMILESCC(=O)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H17NO3/c1-13-18(15-9-5-3-6-10-15)21(16-11-7-4-8-12-16)20(24)17(14(2)22)19(13)23/h3-12,23H,1-2H3
InChIKeyAFOGJAQGTIJRSW-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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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one (CID 54687627) is 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one is CC(=O)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one?
The InChIKey is AFOGJAQGTIJRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-13-18(15-9-5-3-6-10-15)21(16-11-7-4-8-12-16)20(24)17(14(2)22)19(13)23/h3-12,23H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one?
3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-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 3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 54687627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).