5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one

C21H21NO3 — CID 118736608

IUPAC5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one
SMILESCCCC(O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H21NO3/c1-2-7-19(23)18-13-20(24)21(25)14-22(18)17-11-6-10-16(12-17)15-8-4-3-5-9-15/h3-6,8-14,19,23,25H,2,7H2,1H3
InChIKeyDMYHTEDCSOYDOU-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.04
Rot. Bonds5

About 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one

5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one (PubChem CID 118736608) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one
PubChem CID118736608
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one
SMILESCCCC(O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H21NO3/c1-2-7-19(23)18-13-20(24)21(25)14-22(18)17-11-6-10-16(12-17)15-8-4-3-5-9-15/h3-6,8-14,19,23,25H,2,7H2,1H3
InChIKeyDMYHTEDCSOYDOU-UHFFFAOYSA-N
XLogP4.04
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-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

Related Compounds

[1-(Biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
CID 53379376
1-(Biphenyl-3-Yl)-3-Hydroxypyridin-4(1h)-One
CID 53380912
5-Hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one
CID 53379379
1-biphenyl-3-yl-5-hydroxy-2-methylpyridin-4(1H)-one
CID 67418555
1-(biphenyl-3-yl)-5-hydroxy-2-phenylpyridin-4(1H)-one
CID 67419355
1-(3,5-Dimethylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 69932313
5-Hydroxy-1-(3-phenylphenyl)-2-propan-2-ylpyridin-4-one
CID 69932517
1-(4-Butylphenyl)-5-hydroxy-2-(hydroxymethyl)pyridin-4-one
CID 118736604
5-Hydroxy-2-(hydroxymethyl)-1-(4-phenylphenyl)pyridin-4-one
CID 118736605
5-Hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one
CID 118736606
5-Hydroxy-2-[hydroxy(phenyl)methyl]-1-(3-phenylphenyl)pyridin-4-one
CID 118736607
5-Hydroxy-2-(1-hydroxy-2-methylpropyl)-1-(3-phenylphenyl)pyridin-4-one
CID 118736609

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one (CID 118736608) is 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one is CCCC(O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one?
The InChIKey is DMYHTEDCSOYDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-2-7-19(23)18-13-20(24)21(25)14-22(18)17-11-6-10-16(12-17)15-8-4-3-5-9-15/h3-6,8-14,19,23,25H,2,7H2,1H3.
What are the key properties of 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one?
5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one has a molecular weight of 335.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one is sourced from PubChem (CID 118736608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).