2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one

C19H25NO2 — CID 69343588

IUPAC2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one
SMILESCCCC(CCn1ccc(=O)cc1C)OCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-7-19(22-15-17-8-5-4-6-9-17)11-13-20-12-10-18(21)14-16(20)2/h4-6,8-10,12,14,19H,3,7,11,13,15H2,1-2H3
InChIKeyJFXSRHVHVKHOSU-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.93
Rot. Bonds8

About 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one

2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one (PubChem CID 69343588) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one.

Molecular Properties

Compound Name2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one
PubChem CID69343588
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one
SMILESCCCC(CCn1ccc(=O)cc1C)OCc1ccccc1
InChIInChI=1S/C19H25NO2/c1-3-7-19(22-15-17-8-5-4-6-9-17)11-13-20-12-10-18(21)14-16(20)2/h4-6,8-10,12,14,19H,3,7,11,13,15H2,1-2H3
InChIKeyJFXSRHVHVKHOSU-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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11-hydroxy-15-phenylmethoxyoctadecanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one?
The IUPAC name of 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one (CID 69343588) is 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one.
What is the SMILES notation for 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one?
The canonical SMILES for 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one is CCCC(CCn1ccc(=O)cc1C)OCc1ccccc1.
What is the InChIKey of 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one?
The InChIKey is JFXSRHVHVKHOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-7-19(22-15-17-8-5-4-6-9-17)11-13-20-12-10-18(21)14-16(20)2/h4-6,8-10,12,14,19H,3,7,11,13,15H2,1-2H3.
What are the key properties of 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one?
2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one has a molecular weight of 299.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one is sourced from PubChem (CID 69343588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).