2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one

C32H27NO4 — CID 123958163

IUPAC2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1OC(c1ccccc1)c1cccc(-c2ccccc2C(O)c2ccccc2)c1
InChIInChI=1S/C32H27NO4/c34-21-26-19-29(35)30(20-33-26)37-32(23-12-5-2-6-13-23)25-15-9-14-24(18-25)27-16-7-8-17-28(27)31(36)22-10-3-1-4-11-22/h1-20,31-32,34,36H,21H2,(H,33,35)
InChIKeyHEVUHBAJALLIFE-UHFFFAOYSA-N
MW489.57 g/mol
LogP5.78
Rot. Bonds8

About 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one

2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one (PubChem CID 123958163) has the molecular formula C32H27NO4 and a molecular weight of 489.57 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one
PubChem CID123958163
Molecular FormulaC32H27NO4
Molecular Weight489.57 g/mol
Exact Mass489.19
IUPAC Name2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]cc1OC(c1ccccc1)c1cccc(-c2ccccc2C(O)c2ccccc2)c1
InChIInChI=1S/C32H27NO4/c34-21-26-19-29(35)30(20-33-26)37-32(23-12-5-2-6-13-23)25-15-9-14-24(18-25)27-16-7-8-17-28(27)31(36)22-10-3-1-4-11-22/h1-20,31-32,34,36H,21H2,(H,33,35)
InChIKeyHEVUHBAJALLIFE-UHFFFAOYSA-N
XLogP5.78
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.57
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-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

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one (CID 123958163) is 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one is O=c1cc(CO)[nH]cc1OC(c1ccccc1)c1cccc(-c2ccccc2C(O)c2ccccc2)c1.
What is the InChIKey of 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one?
The InChIKey is HEVUHBAJALLIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO4/c34-21-26-19-29(35)30(20-33-26)37-32(23-12-5-2-6-13-23)25-15-9-14-24(18-25)27-16-7-8-17-28(27)31(36)22-10-3-1-4-11-22/h1-20,31-32,34,36H,21H2,(H,33,35).
What are the key properties of 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one?
2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one has a molecular weight of 489.57 g/mol, XLogP of 5.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-[[3-[2-[hydroxy(phenyl)methyl]phenyl]phenyl]-phenylmethoxy]-1H-pyridin-4-one is sourced from PubChem (CID 123958163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).