1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one

C11H17NO3 — CID 79885492

IUPAC1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one
SMILESCOCC(O)Cn1c(C)cc(=O)cc1C
InChIInChI=1S/C11H17NO3/c1-8-4-10(13)5-9(2)12(8)6-11(14)7-15-3/h4-5,11,14H,6-7H2,1-3H3
InChIKeyLNJNUSULJOYQSA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.47
Rot. Bonds4

About 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one

1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one (PubChem CID 79885492) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one
PubChem CID79885492
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one
SMILESCOCC(O)Cn1c(C)cc(=O)cc1C
InChIInChI=1S/C11H17NO3/c1-8-4-10(13)5-9(2)12(8)6-11(14)7-15-3/h4-5,11,14H,6-7H2,1-3H3
InChIKeyLNJNUSULJOYQSA-UHFFFAOYSA-N
XLogP0.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one (CID 79885492) is 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one is COCC(O)Cn1c(C)cc(=O)cc1C.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one?
The InChIKey is LNJNUSULJOYQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-4-10(13)5-9(2)12(8)6-11(14)7-15-3/h4-5,11,14H,6-7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one?
1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79885492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).