4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one

C13H13NO3 — CID 54724201

IUPAC4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1-c1cccc(CO)c1
InChIInChI=1S/C13H13NO3/c1-9-5-12(16)7-13(17)14(9)11-4-2-3-10(6-11)8-15/h2-7,15-16H,8H2,1H3
InChIKeyHDMAZJFYUDLMIH-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.34
Rot. Bonds2

About 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one

4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one (PubChem CID 54724201) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
PubChem CID54724201
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1-c1cccc(CO)c1
InChIInChI=1S/C13H13NO3/c1-9-5-12(16)7-13(17)14(9)11-4-2-3-10(6-11)8-15/h2-7,15-16H,8H2,1H3
InChIKeyHDMAZJFYUDLMIH-UHFFFAOYSA-N
XLogP1.34
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one (CID 54724201) is 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1-c1cccc(CO)c1.
What is the InChIKey of 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one?
The InChIKey is HDMAZJFYUDLMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-5-12(16)7-13(17)14(9)11-4-2-3-10(6-11)8-15/h2-7,15-16H,8H2,1H3.
What are the key properties of 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one?
4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[3-(hydroxymethyl)phenyl]-6-methylpyridin-2-one is sourced from PubChem (CID 54724201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).