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

C18H15NO3 — CID 118736606

IUPAC5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one
SMILESO=c1cc(CO)n(-c2cccc(-c3ccccc3)c2)cc1O
InChIInChI=1S/C18H15NO3/c20-12-16-10-17(21)18(22)11-19(16)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-11,20,22H,12H2
InChIKeyZVNZXNGHEMXUFJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.70
Rot. Bonds3

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

5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one (PubChem CID 118736606) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one
PubChem CID118736606
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one
SMILESO=c1cc(CO)n(-c2cccc(-c3ccccc3)c2)cc1O
InChIInChI=1S/C18H15NO3/c20-12-16-10-17(21)18(22)11-19(16)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-11,20,22H,12H2
InChIKeyZVNZXNGHEMXUFJ-UHFFFAOYSA-N
XLogP2.70
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[hydroxy(phenyl)methyl]-1-(3-phenylphenyl)pyridin-4-one
CID 118736607
5-Hydroxy-2-(1-hydroxybutyl)-1-(3-phenylphenyl)pyridin-4-one
CID 118736608
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-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one (CID 118736606) is 5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one is O=c1cc(CO)n(-c2cccc(-c3ccccc3)c2)cc1O.
What is the InChIKey of 5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one?
The InChIKey is ZVNZXNGHEMXUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-12-16-10-17(21)18(22)11-19(16)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-11,20,22H,12H2.
What are the key properties of 5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one?
5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one has a molecular weight of 293.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(hydroxymethyl)-1-(3-phenylphenyl)pyridin-4-one is sourced from PubChem (CID 118736606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).