1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one

C15H17NO2 — CID 79884679

IUPAC1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1ccc(CCO)cc1
InChIInChI=1S/C15H17NO2/c1-11-9-15(18)10-12(2)16(11)14-5-3-13(4-6-14)7-8-17/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyXEHBXGFVZCFZEP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds3

About 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one

1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one (PubChem CID 79884679) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one
PubChem CID79884679
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1ccc(CCO)cc1
InChIInChI=1S/C15H17NO2/c1-11-9-15(18)10-12(2)16(11)14-5-3-13(4-6-14)7-8-17/h3-6,9-10,17H,7-8H2,1-2H3
InChIKeyXEHBXGFVZCFZEP-UHFFFAOYSA-N
XLogP1.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-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 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one (CID 79884679) is 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1-c1ccc(CCO)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one?
The InChIKey is XEHBXGFVZCFZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-9-15(18)10-12(2)16(11)14-5-3-13(4-6-14)7-8-17/h3-6,9-10,17H,7-8H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one?
1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)phenyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).