1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one

C14H15NO2 — CID 118736603

IUPAC1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1cc(C)cc(-n2ccc(=O)c(O)c2C)c1
InChIInChI=1S/C14H15NO2/c1-9-6-10(2)8-12(7-9)15-5-4-13(16)14(17)11(15)3/h4-8,17H,1-3H3
InChIKeyCJOYQPFROQSYCM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.47
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one

1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 118736603) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID118736603
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCc1cc(C)cc(-n2ccc(=O)c(O)c2C)c1
InChIInChI=1S/C14H15NO2/c1-9-6-10(2)8-12(7-9)15-5-4-13(16)14(17)11(15)3/h4-8,17H,1-3H3
InChIKeyCJOYQPFROQSYCM-UHFFFAOYSA-N
XLogP2.47
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
CID 53379376
1-(Biphenyl-3-Yl)-3-Hydroxypyridin-4(1h)-One
CID 53380912
3-Hydroxy-2-methyl-1-(phenylmethyl)-4(1H)-pyridinone
CID 9549917
1-(3,5-Dimethylphenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
CID 1489744
6-Methyl-1-(3-methylphenyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
CID 1489807
1-biphenyl-3-yl-5-hydroxy-2-methylpyridin-4(1H)-one
CID 67418555
1-(biphenyl-3-yl)-5-hydroxy-2-phenylpyridin-4(1H)-one
CID 67419355
1-(3,5-Dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 69932313
5-Hydroxy-1-(3-phenylphenyl)-2-propan-2-ylpyridin-4-one
CID 69932517
5-Hydroxy-2-methyl-1-phenylpyridin-4-one
CID 89475995
Hydroxy methylphenylpyridinone
CID 10397916
5-Hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one
CID 118736606

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one (CID 118736603) is 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one is Cc1cc(C)cc(-n2ccc(=O)c(O)c2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is CJOYQPFROQSYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-6-10(2)8-12(7-9)15-5-4-13(16)14(17)11(15)3/h4-8,17H,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one?
1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 118736603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).