2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one

C23H25NO4 — CID 140931594

IUPAC2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one
SMILESO=c1cc(CO)n(CC(O)CCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C23H25NO4/c25-16-20-13-22(27)23(28-17-19-9-5-2-6-10-19)15-24(20)14-21(26)12-11-18-7-3-1-4-8-18/h1-10,13,15,21,25-26H,11-12,14,16-17H2
InChIKeyGNZPFWCAYUKKJC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.91
Rot. Bonds9

About 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one

2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one (PubChem CID 140931594) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one
PubChem CID140931594
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one
SMILESO=c1cc(CO)n(CC(O)CCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C23H25NO4/c25-16-20-13-22(27)23(28-17-19-9-5-2-6-10-19)15-24(20)14-21(26)12-11-18-7-3-1-4-8-18/h1-10,13,15,21,25-26H,11-12,14,16-17H2
InChIKeyGNZPFWCAYUKKJC-UHFFFAOYSA-N
XLogP2.91
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-3-methylbutyl)-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 155679765
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(hydroxymethyl)-5-phenylmethoxypyridin-4-one
CID 56761874
2-[2-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 53369854
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
CID 16853831
1-benzyl-4-oxo-5-phenylmethoxypyridine-2-carbaldehyde
CID 4607667
sodium 2-[5-benzhydryloxy-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetate
CID 23681837
2-[2-methyl-5-[(4-methylphenyl)methoxy]-4-oxo-1-pyridinyl]-N-(2-phenylethyl)acetamide
CID 16852935
N-(2,4-difluorophenyl)-2-[5-[(4-fluorophenyl)methoxy]-2-(hydroxymethyl)-4-oxo-1-pyridinyl]acetamide
CID 16853849
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
1-(2-hydroxy-4-phenylbutyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 75521813

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one (CID 140931594) is 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one is O=c1cc(CO)n(CC(O)CCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one?
The InChIKey is GNZPFWCAYUKKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c25-16-20-13-22(27)23(28-17-19-9-5-2-6-10-19)15-24(20)14-21(26)12-11-18-7-3-1-4-8-18/h1-10,13,15,21,25-26H,11-12,14,16-17H2.
What are the key properties of 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one?
2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one has a molecular weight of 379.46 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-(2-hydroxy-4-phenylbutyl)-5-phenylmethoxypyridin-4-one is sourced from PubChem (CID 140931594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).