1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one

C19H25NO2 — CID 14956289

IUPAC1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCCCCCCn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C19H25NO2/c1-3-4-5-9-13-20-14-12-18(21)19(16(20)2)22-15-17-10-7-6-8-11-17/h6-8,10-12,14H,3-5,9,13,15H2,1-2H3
InChIKeyMIYGKIIWZMZPAD-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.32
Rot. Bonds8

About 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one

1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 14956289) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one
PubChem CID14956289
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one
SMILESCCCCCCn1ccc(=O)c(OCc2ccccc2)c1C
InChIInChI=1S/C19H25NO2/c1-3-4-5-9-13-20-14-12-18(21)19(16(20)2)22-15-17-10-7-6-8-11-17/h6-8,10-12,14H,3-5,9,13,15H2,1-2H3
InChIKeyMIYGKIIWZMZPAD-UHFFFAOYSA-N
XLogP4.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-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-hexyl-2-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one (CID 14956289) is 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one is CCCCCCn1ccc(=O)c(OCc2ccccc2)c1C.
What is the InChIKey of 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is MIYGKIIWZMZPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-4-5-9-13-20-14-12-18(21)19(16(20)2)22-15-17-10-7-6-8-11-17/h6-8,10-12,14H,3-5,9,13,15H2,1-2H3.
What are the key properties of 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one?
1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 299.41 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 14956289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).