3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one

C14H13NO3 — CID 54689145

IUPAC3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C14H13NO3/c1-9-8-12(17)13(10(2)16)14(18)15(9)11-6-4-3-5-7-11/h3-8,17H,1-2H3
InChIKeyOMXKDDUKADMJBN-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.05
Rot. Bonds2

About 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one

3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one (PubChem CID 54689145) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one
PubChem CID54689145
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one
SMILESCC(=O)c1c(O)cc(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C14H13NO3/c1-9-8-12(17)13(10(2)16)14(18)15(9)11-6-4-3-5-7-11/h3-8,17H,1-2H3
InChIKeyOMXKDDUKADMJBN-UHFFFAOYSA-N
XLogP2.05
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.05
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-6-methyl-1-phenylpyridin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one (CID 54689145) is 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one is CC(=O)c1c(O)cc(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one?
The InChIKey is OMXKDDUKADMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-8-12(17)13(10(2)16)14(18)15(9)11-6-4-3-5-7-11/h3-8,17H,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one?
3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one has a molecular weight of 243.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-6-methyl-1-phenylpyridin-2-one is sourced from PubChem (CID 54689145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).