1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one

C14H15NO3 — CID 118736602

IUPAC1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESCc1ccc(-n2cc(O)c(=O)cc2CO)c(C)c1
InChIInChI=1S/C14H15NO3/c1-9-3-4-12(10(2)5-9)15-7-14(18)13(17)6-11(15)8-16/h3-7,16,18H,8H2,1-2H3
InChIKeyMRXSKHROSOGKBR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.65
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one

1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one (PubChem CID 118736602) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
PubChem CID118736602
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESCc1ccc(-n2cc(O)c(=O)cc2CO)c(C)c1
InChIInChI=1S/C14H15NO3/c1-9-3-4-12(10(2)5-9)15-7-14(18)13(17)6-11(15)8-16/h3-7,16,18H,8H2,1-2H3
InChIKeyMRXSKHROSOGKBR-UHFFFAOYSA-N
XLogP1.65
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one (CID 118736602) is 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one is Cc1ccc(-n2cc(O)c(=O)cc2CO)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The InChIKey is MRXSKHROSOGKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-3-4-12(10(2)5-9)15-7-14(18)13(17)6-11(15)8-16/h3-7,16,18H,8H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one?
1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 118736602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).