1-phenylmethoxypyridin-2-one

C12H11NO2 — CID 824729

IUPAC1-phenylmethoxypyridin-2-one
SMILESO=c1ccccn1OCc1ccccc1
InChIInChI=1S/C12H11NO2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyXPXARICFNFFNEK-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.48
Rot. Bonds3

About 1-phenylmethoxypyridin-2-one

1-phenylmethoxypyridin-2-one (PubChem CID 824729) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-phenylmethoxypyridin-2-one
PubChem CID824729
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name1-phenylmethoxypyridin-2-one
SMILESO=c1ccccn1OCc1ccccc1
InChIInChI=1S/C12H11NO2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyXPXARICFNFFNEK-UHFFFAOYSA-N
XLogP1.48
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyridin-2-one?
The IUPAC name of 1-phenylmethoxypyridin-2-one (CID 824729) is 1-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-phenylmethoxypyridin-2-one is O=c1ccccn1OCc1ccccc1.
What is the InChIKey of 1-phenylmethoxypyridin-2-one?
The InChIKey is XPXARICFNFFNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 1-phenylmethoxypyridin-2-one?
1-phenylmethoxypyridin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyridin-2-one is sourced from PubChem (CID 824729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).