4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one

C14H15NO3 — CID 53322330

IUPAC4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(CO)c1CCc1ccc(O)cc1
InChIInChI=1S/C14H15NO3/c16-9-11-7-8-15-14(18)13(11)6-3-10-1-4-12(17)5-2-10/h1-2,4-5,7-8,16-17H,3,6,9H2,(H,15,18)
InChIKeyYKMQXAWTGCOPNE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.36
Rot. Bonds4

About 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one

4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one (PubChem CID 53322330) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one
PubChem CID53322330
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(CO)c1CCc1ccc(O)cc1
InChIInChI=1S/C14H15NO3/c16-9-11-7-8-15-14(18)13(11)6-3-10-1-4-12(17)5-2-10/h1-2,4-5,7-8,16-17H,3,6,9H2,(H,15,18)
InChIKeyYKMQXAWTGCOPNE-UHFFFAOYSA-N
XLogP1.36
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-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 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one (CID 53322330) is 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one is O=c1[nH]ccc(CO)c1CCc1ccc(O)cc1.
What is the InChIKey of 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one?
The InChIKey is YKMQXAWTGCOPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-9-11-7-8-15-14(18)13(11)6-3-10-1-4-12(17)5-2-10/h1-2,4-5,7-8,16-17H,3,6,9H2,(H,15,18).
What are the key properties of 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one?
4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 53322330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).