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

C19H17NO3 — CID 53379379

IUPAC5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one
SMILESCC(O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H17NO3/c1-13(21)17-11-18(22)19(23)12-20(17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13,21,23H,1H3
InChIKeyHDEBPDJWJHEWIK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.26
Rot. Bonds3

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

5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one (PubChem CID 53379379) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one
PubChem CID53379379
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one
SMILESCC(O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H17NO3/c1-13(21)17-11-18(22)19(23)12-20(17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13,21,23H,1H3
InChIKeyHDEBPDJWJHEWIK-UHFFFAOYSA-N
XLogP3.26
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one?
The IUPAC name of 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one (CID 53379379) is 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one?
The canonical SMILES for 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one is CC(O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one?
The InChIKey is HDEBPDJWJHEWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13(21)17-11-18(22)19(23)12-20(17)16-9-5-8-15(10-16)14-6-3-2-4-7-14/h2-13,21,23H,1H3.
What are the key properties of 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one?
5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one has a molecular weight of 307.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(1-hydroxyethyl)-1-(3-phenylphenyl)pyridin-4-one is sourced from PubChem (CID 53379379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).