2-(5-deuterio-1-methylindol-2-yl)ethanol

C11H13NO — CID 175835418

IUPAC2-(5-deuterio-1-methylindol-2-yl)ethanol
SMILES[2H]c1ccc2c(c1)cc(CCO)n2C
InChIInChI=1S/C11H13NO/c1-12-10(6-7-13)8-9-4-2-3-5-11(9)12/h2-5,8,13H,6-7H2,1H3/i2D
InChIKeyQJMKTLRTFKQNQH-VMNATFBRSA-N
MW176.24 g/mol
LogP1.71
Rot. Bonds2

About 2-(5-deuterio-1-methylindol-2-yl)ethanol

2-(5-deuterio-1-methylindol-2-yl)ethanol (PubChem CID 175835418) has the molecular formula C11H13NO and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-(5-deuterio-1-methylindol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-deuterio-1-methylindol-2-yl)ethanol
PubChem CID175835418
Molecular FormulaC11H13NO
Molecular Weight176.24 g/mol
Exact Mass176.11
IUPAC Name2-(5-deuterio-1-methylindol-2-yl)ethanol
SMILES[2H]c1ccc2c(c1)cc(CCO)n2C
InChIInChI=1S/C11H13NO/c1-12-10(6-7-13)8-9-4-2-3-5-11(9)12/h2-5,8,13H,6-7H2,1H3/i2D
InChIKeyQJMKTLRTFKQNQH-VMNATFBRSA-N
XLogP1.71
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-deuterio-1-methylindol-2-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 2-(5-deuterio-1-methylindol-2-yl)ethanol?
The IUPAC name of 2-(5-deuterio-1-methylindol-2-yl)ethanol (CID 175835418) is 2-(5-deuterio-1-methylindol-2-yl)ethanol.
What is the SMILES notation for 2-(5-deuterio-1-methylindol-2-yl)ethanol?
The canonical SMILES for 2-(5-deuterio-1-methylindol-2-yl)ethanol is [2H]c1ccc2c(c1)cc(CCO)n2C.
What is the InChIKey of 2-(5-deuterio-1-methylindol-2-yl)ethanol?
The InChIKey is QJMKTLRTFKQNQH-VMNATFBRSA-N. The full InChI is InChI=1S/C11H13NO/c1-12-10(6-7-13)8-9-4-2-3-5-11(9)12/h2-5,8,13H,6-7H2,1H3/i2D.
What are the key properties of 2-(5-deuterio-1-methylindol-2-yl)ethanol?
2-(5-deuterio-1-methylindol-2-yl)ethanol has a molecular weight of 176.24 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-deuterio-1-methylindol-2-yl)ethanol is sourced from PubChem (CID 175835418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).