2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one

C14H15NO2 — CID 12025029

IUPAC2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1-c1ccc(C)cc1
InChIInChI=1S/C14H15NO2/c1-3-12-14(17)13(16)8-9-15(12)11-6-4-10(2)5-7-11/h4-9,17H,3H2,1-2H3
InChIKeyVLTGLOSJFNCLFI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.41
Rot. Bonds2

About 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one

2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one (PubChem CID 12025029) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one.

Molecular Properties

Compound Name2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one
PubChem CID12025029
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one
SMILESCCc1c(O)c(=O)ccn1-c1ccc(C)cc1
InChIInChI=1S/C14H15NO2/c1-3-12-14(17)13(16)8-9-15(12)11-6-4-10(2)5-7-11/h4-9,17H,3H2,1-2H3
InChIKeyVLTGLOSJFNCLFI-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one?
The IUPAC name of 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one (CID 12025029) is 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one.
What is the SMILES notation for 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one?
The canonical SMILES for 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one is CCc1c(O)c(=O)ccn1-c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one?
The InChIKey is VLTGLOSJFNCLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-12-14(17)13(16)8-9-15(12)11-6-4-10(2)5-7-11/h4-9,17H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one?
2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxy-1-(4-methylphenyl)pyridin-4-one is sourced from PubChem (CID 12025029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).