1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one

C11H17NO3 — CID 79884857

IUPAC1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CCOCCO
InChIInChI=1S/C11H17NO3/c1-9-7-11(14)8-10(2)12(9)3-5-15-6-4-13/h7-8,13H,3-6H2,1-2H3
InChIKeySPCSOZDDTQYLLB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.47
Rot. Bonds5

About 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one

1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one (PubChem CID 79884857) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one
PubChem CID79884857
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1CCOCCO
InChIInChI=1S/C11H17NO3/c1-9-7-11(14)8-10(2)12(9)3-5-15-6-4-13/h7-8,13H,3-6H2,1-2H3
InChIKeySPCSOZDDTQYLLB-UHFFFAOYSA-N
XLogP0.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-hydroxyethoxy)ethyl]-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-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one (CID 79884857) is 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1CCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one?
The InChIKey is SPCSOZDDTQYLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9-7-11(14)8-10(2)12(9)3-5-15-6-4-13/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one?
1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one has a molecular weight of 211.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethyl]-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).