1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one

C11H17NO3 — CID 19780059

IUPAC1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCOC(C)Cn1ccc(=O)c(O)c1C
InChIInChI=1S/C11H17NO3/c1-4-15-8(2)7-12-6-5-10(13)11(14)9(12)3/h5-6,8,14H,4,7H2,1-3H3
InChIKeyCGLVDZFPYWXMOM-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.29
Rot. Bonds4

About 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one

1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 19780059) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID19780059
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCOC(C)Cn1ccc(=O)c(O)c1C
InChIInChI=1S/C11H17NO3/c1-4-15-8(2)7-12-6-5-10(13)11(14)9(12)3/h5-6,8,14H,4,7H2,1-3H3
InChIKeyCGLVDZFPYWXMOM-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
CID 86345
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-methoxyethyl)-
CID 86380
3-Hydroxy-1-(2-hydroxyethyl)-2-methyl-4(1H)-pyridinone
CID 94414
CP 102
CID 86379
CP 41
CID 93513
2-Ethyl-3-hydroxy-1-propyl-4-pyridinone
CID 86321
1-Ethyl-2-(1-hydroxyethyl)-3-hydroxypyridin-4-one
CID 126465
2-Ethyl-3-hydroxy-1-(2-pivaloyloxyethyl)pyridin-4-one
CID 9838237
1-(3-Ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one
CID 10036053
4-Pyridone,3-hydroxy-2-ethyl-1-(3-hydroxy)propyl
CID 10058531

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one (CID 19780059) is 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one is CCOC(C)Cn1ccc(=O)c(O)c1C.
What is the InChIKey of 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is CGLVDZFPYWXMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-15-8(2)7-12-6-5-10(13)11(14)9(12)3/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one?
1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 211.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 19780059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).