2-(2-methyl-1H-indol-3-yl)ethanol

C11H13NO — CID 659192

IUPAC2-(2-methyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2ccccc2c1CCO
InChIInChI=1S/C11H13NO/c1-8-9(6-7-13)10-4-2-3-5-11(10)12-8/h2-5,12-13H,6-7H2,1H3
InChIKeyZORUCKJDMLKIQX-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.01
Rot. Bonds2

About 2-(2-methyl-1H-indol-3-yl)ethanol

2-(2-methyl-1H-indol-3-yl)ethanol (PubChem CID 659192) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)ethanol
PubChem CID659192
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(2-methyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2ccccc2c1CCO
InChIInChI=1S/C11H13NO/c1-8-9(6-7-13)10-4-2-3-5-11(10)12-8/h2-5,12-13H,6-7H2,1H3
InChIKeyZORUCKJDMLKIQX-UHFFFAOYSA-N
XLogP2.01
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)ethanol (CID 659192) is 2-(2-methyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)ethanol is Cc1[nH]c2ccccc2c1CCO.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)ethanol?
The InChIKey is ZORUCKJDMLKIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-8-9(6-7-13)10-4-2-3-5-11(10)12-8/h2-5,12-13H,6-7H2,1H3.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)ethanol?
2-(2-methyl-1H-indol-3-yl)ethanol has a molecular weight of 175.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 659192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).