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

C12H19NO3 — CID 3077062

IUPAC1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCOCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C12H19NO3/c1-3-16-9-5-4-7-13-8-6-11(14)12(15)10(13)2/h6,8,15H,3-5,7,9H2,1-2H3
InChIKeyPMQNMLJJOUWKRN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.68
Rot. Bonds6

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

1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one (PubChem CID 3077062) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one
PubChem CID3077062
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one
SMILESCCOCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C12H19NO3/c1-3-16-9-5-4-7-13-8-6-11(14)12(15)10(13)2/h6,8,15H,3-5,7,9H2,1-2H3
InChIKeyPMQNMLJJOUWKRN-UHFFFAOYSA-N
XLogP1.68
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 86322
CID 86322
CID 121732
CID 121732
CID 94413
CID 94413
CID 86320
CID 86320
CID 86345
CID 86345
CID 86380
CID 86380
CID 121733
CID 121733
CID 121734
CID 121734
CID 86379
CID 86379
CID 10488627
CID 10488627
CID 93513
CID 93513
CID 86321
CID 86321

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one?
The IUPAC name of 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one (CID 3077062) is 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one?
The canonical SMILES for 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one is CCOCCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one?
The InChIKey is PMQNMLJJOUWKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-9-5-4-7-13-8-6-11(14)12(15)10(13)2/h6,8,15H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one?
1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one has a molecular weight of 225.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutyl)-3-hydroxy-2-methylpyridin-4-one is sourced from PubChem (CID 3077062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).