1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one

C13H13NO3 — CID 71816506

IUPAC1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(Cc2ccc(O)cc2)n(O)c(=O)c1
InChIInChI=1S/C13H13NO3/c1-9-6-11(14(17)13(16)7-9)8-10-2-4-12(15)5-3-10/h2-7,15,17H,8H2,1H3
InChIKeyABLXOGHWKHJQAM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.69
Rot. Bonds2

About 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one

1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one (PubChem CID 71816506) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one
PubChem CID71816506
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one
SMILESCc1cc(Cc2ccc(O)cc2)n(O)c(=O)c1
InChIInChI=1S/C13H13NO3/c1-9-6-11(14(17)13(16)7-9)8-10-2-4-12(15)5-3-10/h2-7,15,17H,8H2,1H3
InChIKeyABLXOGHWKHJQAM-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one (CID 71816506) is 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one is Cc1cc(Cc2ccc(O)cc2)n(O)c(=O)c1.
What is the InChIKey of 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is ABLXOGHWKHJQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-6-11(14(17)13(16)7-9)8-10-2-4-12(15)5-3-10/h2-7,15,17H,8H2,1H3.
What are the key properties of 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one?
1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-[(4-hydroxyphenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 71816506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).