1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one

C15H25NO2 — CID 20541697

IUPAC1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCCCCC(CC)Cn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C15H25NO2/c1-5-7-8-13(6-2)10-16-14(17)9-11(3)12(4)15(16)18/h9,13,18H,5-8,10H2,1-4H3
InChIKeyIPUCZMIHJBSSCP-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one

1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one (PubChem CID 20541697) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one
PubChem CID20541697
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one
SMILESCCCCC(CC)Cn1c(O)c(C)c(C)cc1=O
InChIInChI=1S/C15H25NO2/c1-5-7-8-13(6-2)10-16-14(17)9-11(3)12(4)15(16)18/h9,13,18H,5-8,10H2,1-4H3
InChIKeyIPUCZMIHJBSSCP-UHFFFAOYSA-N
XLogP3.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-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-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The IUPAC name of 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one (CID 20541697) is 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one.
What is the SMILES notation for 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The canonical SMILES for 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one is CCCCC(CC)Cn1c(O)c(C)c(C)cc1=O.
What is the InChIKey of 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
The InChIKey is IPUCZMIHJBSSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-7-8-13(6-2)10-16-14(17)9-11(3)12(4)15(16)18/h9,13,18H,5-8,10H2,1-4H3.
What are the key properties of 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one?
1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one has a molecular weight of 251.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-6-hydroxy-4,5-dimethylpyridin-2-one is sourced from PubChem (CID 20541697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).