1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol

C11H15NO3 — CID 171480348

IUPAC1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol
SMILESCC(O)c1ccc2c(n1)OC(C)(C)CO2
InChIInChI=1S/C11H15NO3/c1-7(13)8-4-5-9-10(12-8)15-11(2,3)6-14-9/h4-5,7,13H,6H2,1-3H3
InChIKeyHUMWQOYLRPTPNO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.68
Rot. Bonds1

About 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol

1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol (PubChem CID 171480348) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol
PubChem CID171480348
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol
SMILESCC(O)c1ccc2c(n1)OC(C)(C)CO2
InChIInChI=1S/C11H15NO3/c1-7(13)8-4-5-9-10(12-8)15-11(2,3)6-14-9/h4-5,7,13H,6H2,1-3H3
InChIKeyHUMWQOYLRPTPNO-UHFFFAOYSA-N
XLogP1.68
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol 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-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol?
The IUPAC name of 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol (CID 171480348) is 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol.
What is the SMILES notation for 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol?
The canonical SMILES for 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol is CC(O)c1ccc2c(n1)OC(C)(C)CO2.
What is the InChIKey of 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol?
The InChIKey is HUMWQOYLRPTPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(13)8-4-5-9-10(12-8)15-11(2,3)6-14-9/h4-5,7,13H,6H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol?
1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol has a molecular weight of 209.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-[1,4]dioxino[2,3-b]pyridin-6-yl)ethanol is sourced from PubChem (CID 171480348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).