6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one

C15H15NO4 — CID 58914384

IUPAC6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]c(C(C)=O)c1OCc1ccccc1
InChIInChI=1S/C15H15NO4/c1-10(17)14-15(12(19-2)8-13(18)16-14)20-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyRUXHCEZAIFVXQM-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.17
Rot. Bonds5

About 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one

6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one (PubChem CID 58914384) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one
PubChem CID58914384
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one
SMILESCOc1cc(=O)[nH]c(C(C)=O)c1OCc1ccccc1
InChIInChI=1S/C15H15NO4/c1-10(17)14-15(12(19-2)8-13(18)16-14)20-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyRUXHCEZAIFVXQM-UHFFFAOYSA-N
XLogP2.17
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one?
The IUPAC name of 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one (CID 58914384) is 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one.
What is the SMILES notation for 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one?
The canonical SMILES for 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one is COc1cc(=O)[nH]c(C(C)=O)c1OCc1ccccc1.
What is the InChIKey of 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one?
The InChIKey is RUXHCEZAIFVXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10(17)14-15(12(19-2)8-13(18)16-14)20-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one?
6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-4-methoxy-5-phenylmethoxy-1H-pyridin-2-one is sourced from PubChem (CID 58914384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).