3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one

C15H17NO3 — CID 54704152

IUPAC3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1ccc(O)c(Cc2ccccc2)c1=O
InChIInChI=1S/C15H17NO3/c1-19-10-9-16-8-7-14(17)13(15(16)18)11-12-5-3-2-4-6-12/h2-8,17H,9-11H2,1H3
InChIKeyFGQAZHIWWYRASP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.79
Rot. Bonds5

About 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one

3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 54704152) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one
PubChem CID54704152
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1ccc(O)c(Cc2ccccc2)c1=O
InChIInChI=1S/C15H17NO3/c1-19-10-9-16-8-7-14(17)13(15(16)18)11-12-5-3-2-4-6-12/h2-8,17H,9-11H2,1H3
InChIKeyFGQAZHIWWYRASP-UHFFFAOYSA-N
XLogP1.79
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one (CID 54704152) is 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one is COCCn1ccc(O)c(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is FGQAZHIWWYRASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-10-9-16-8-7-14(17)13(15(16)18)11-12-5-3-2-4-6-12/h2-8,17H,9-11H2,1H3.
What are the key properties of 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one?
3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 54704152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).