1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one

C13H13NO2 — CID 90280157

IUPAC1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(CO)cc1
InChIInChI=1S/C13H13NO2/c15-10-12-6-4-11(5-7-12)9-14-8-2-1-3-13(14)16/h1-8,15H,9-10H2
InChIKeyOINHGEBQNPOQFY-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.39
Rot. Bonds3

About 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one

1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one (PubChem CID 90280157) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
PubChem CID90280157
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(CO)cc1
InChIInChI=1S/C13H13NO2/c15-10-12-6-4-11(5-7-12)9-14-8-2-1-3-13(14)16/h1-8,15H,9-10H2
InChIKeyOINHGEBQNPOQFY-UHFFFAOYSA-N
XLogP1.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one (CID 90280157) is 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one is O=c1ccccn1Cc1ccc(CO)cc1.
What is the InChIKey of 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is OINHGEBQNPOQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-10-12-6-4-11(5-7-12)9-14-8-2-1-3-13(14)16/h1-8,15H,9-10H2.
What are the key properties of 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one?
1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 90280157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).