1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one

C13H13NO2 — CID 737573

IUPAC1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1ccc(O)cc1
InChIInChI=1S/C13H13NO2/c1-9-7-13(16)8-10(2)14(9)11-3-5-12(15)6-4-11/h3-8,15H,1-2H3
InChIKeyMPECBZRQPNPTCM-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.16
Rot. Bonds1

About 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one

1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one (PubChem CID 737573) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one
PubChem CID737573
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1ccc(O)cc1
InChIInChI=1S/C13H13NO2/c1-9-7-13(16)8-10(2)14(9)11-3-5-12(15)6-4-11/h3-8,15H,1-2H3
InChIKeyMPECBZRQPNPTCM-UHFFFAOYSA-N
XLogP2.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-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 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one (CID 737573) is 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1-c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one?
The InChIKey is MPECBZRQPNPTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9-7-13(16)8-10(2)14(9)11-3-5-12(15)6-4-11/h3-8,15H,1-2H3.
What are the key properties of 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one?
1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one has a molecular weight of 215.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 737573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).