3-hydroxy-2-methyl-1-octylpyridin-4-one

C14H23NO2 — CID 10037172

IUPAC3-hydroxy-2-methyl-1-octylpyridin-4-one
SMILESCCCCCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-10-15-11-9-13(16)14(17)12(15)2/h9,11,17H,3-8,10H2,1-2H3
InChIKeySWPSJFHXPJYYJI-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.22
Rot. Bonds7

About 3-hydroxy-2-methyl-1-octylpyridin-4-one

3-hydroxy-2-methyl-1-octylpyridin-4-one (PubChem CID 10037172) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-octylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-octylpyridin-4-one
PubChem CID10037172
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-hydroxy-2-methyl-1-octylpyridin-4-one
SMILESCCCCCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-10-15-11-9-13(16)14(17)12(15)2/h9,11,17H,3-8,10H2,1-2H3
InChIKeySWPSJFHXPJYYJI-UHFFFAOYSA-N
XLogP3.22
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CP 94
CID 86322
3-Hydroxy-2-methyl-1-propyl-4(1H)-pyridone
CID 121732
1-Ethyl-3-hydroxy-2-methyl-4-pyridinone
CID 94413
1-Decyl-3-hydroxy-2-methylpyridin-4-one
CID 14956309
1-Cyclohexyl-5-hydroxy-2-methylpyridin-4-one
CID 130407983
2-Ethyl-3-hydroxy-1-methyl-4(1H)-pyridinone
CID 86320
1-Butyl-2-methyl-3-hydroxypyridin-4-one
CID 121733
4(1H)-Pyridinone, 3-hydroxy-2-methyl-1-pentyl-
CID 121734
3-Hydroxy-2-methyl-1-(propan-2-yl)-1,4-dihydropyridin-4-one
CID 10130140
1-Hexyl-3-hydroxy-2-methyl-1,4-dihydropyridin-4-one
CID 10488627
2-Ethyl-3-hydroxy-1-propyl-4-pyridinone
CID 86321
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-propenyl)-
CID 3079582

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-octylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-octylpyridin-4-one (CID 10037172) is 3-hydroxy-2-methyl-1-octylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-octylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-octylpyridin-4-one is CCCCCCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-2-methyl-1-octylpyridin-4-one?
The InChIKey is SWPSJFHXPJYYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-10-15-11-9-13(16)14(17)12(15)2/h9,11,17H,3-8,10H2,1-2H3.
What are the key properties of 3-hydroxy-2-methyl-1-octylpyridin-4-one?
3-hydroxy-2-methyl-1-octylpyridin-4-one has a molecular weight of 237.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-octylpyridin-4-one is sourced from PubChem (CID 10037172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).