1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one

C15H17NO3 — CID 54710992

IUPAC1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one
SMILESCOc1c(O)c(C)c(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H17NO3/c1-10-11(2)16(9-12-7-5-4-6-8-12)15(18)14(19-3)13(10)17/h4-8,17H,9H2,1-3H3
InChIKeyOFQGRWSXURZMGG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds3

About 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one

1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one (PubChem CID 54710992) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one
PubChem CID54710992
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one
SMILESCOc1c(O)c(C)c(C)n(Cc2ccccc2)c1=O
InChIInChI=1S/C15H17NO3/c1-10-11(2)16(9-12-7-5-4-6-8-12)15(18)14(19-3)13(10)17/h4-8,17H,9H2,1-3H3
InChIKeyOFQGRWSXURZMGG-UHFFFAOYSA-N
XLogP2.23
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
1-benzyl-4-methoxy-2,3-dimethylindole
CID 102087023
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one
CID 90073694
3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
CID 91929886
1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
CID 54706810
2-(1-benzyl-2,3-dimethylindol-6-yl)acetic acid
CID 54330061
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
methyl 3-(1-benzyl-2-methylindol-3-yl)prop-2-enoate
CID 57270880
methyl 1-benzyl-4-hydroxyindole-2-carboxylate
CID 18522126

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one?
The IUPAC name of 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one (CID 54710992) is 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one is COc1c(O)c(C)c(C)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one?
The InChIKey is OFQGRWSXURZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-11(2)16(9-12-7-5-4-6-8-12)15(18)14(19-3)13(10)17/h4-8,17H,9H2,1-3H3.
What are the key properties of 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one?
1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one is sourced from PubChem (CID 54710992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).