3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one

C14H15NO2 — CID 10561391

IUPAC3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2ccc(=O)c(O)c2C)cc1
InChIInChI=1S/C14H15NO2/c1-10-3-5-12(6-4-10)9-15-8-7-13(16)14(17)11(15)2/h3-8,17H,9H2,1-2H3
InChIKeyUUPOOAACOLCWON-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.22
Rot. Bonds2

About 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one

3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one (PubChem CID 10561391) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one
PubChem CID10561391
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one
SMILESCc1ccc(Cn2ccc(=O)c(O)c2C)cc1
InChIInChI=1S/C14H15NO2/c1-10-3-5-12(6-4-10)9-15-8-7-13(16)14(17)11(15)2/h3-8,17H,9H2,1-2H3
InChIKeyUUPOOAACOLCWON-UHFFFAOYSA-N
XLogP2.22
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one (CID 10561391) is 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one is Cc1ccc(Cn2ccc(=O)c(O)c2C)cc1.
What is the InChIKey of 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one?
The InChIKey is UUPOOAACOLCWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-3-5-12(6-4-10)9-15-8-7-13(16)14(17)11(15)2/h3-8,17H,9H2,1-2H3.
What are the key properties of 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one?
3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one is sourced from PubChem (CID 10561391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).