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

C10H11NO — CID 58419435

IUPAC2-(3H-indol-2-yl)ethanol
SMILESOCCC1=Nc2ccccc2C1
InChIInChI=1S/C10H11NO/c12-6-5-9-7-8-3-1-2-4-10(8)11-9/h1-4,12H,5-7H2
InChIKeyWCCHVRDHVWNQOZ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.70
Rot. Bonds2

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

2-(3H-indol-2-yl)ethanol (PubChem CID 58419435) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(3H-indol-2-yl)ethanol.

Molecular Properties

Compound Name2-(3H-indol-2-yl)ethanol
PubChem CID58419435
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-(3H-indol-2-yl)ethanol
SMILESOCCC1=Nc2ccccc2C1
InChIInChI=1S/C10H11NO/c12-6-5-9-7-8-3-1-2-4-10(8)11-9/h1-4,12H,5-7H2
InChIKeyWCCHVRDHVWNQOZ-UHFFFAOYSA-N
XLogP1.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-indol-2-yl)ethanol?
The IUPAC name of 2-(3H-indol-2-yl)ethanol (CID 58419435) is 2-(3H-indol-2-yl)ethanol.
What is the SMILES notation for 2-(3H-indol-2-yl)ethanol?
The canonical SMILES for 2-(3H-indol-2-yl)ethanol is OCCC1=Nc2ccccc2C1.
What is the InChIKey of 2-(3H-indol-2-yl)ethanol?
The InChIKey is WCCHVRDHVWNQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c12-6-5-9-7-8-3-1-2-4-10(8)11-9/h1-4,12H,5-7H2.
What are the key properties of 2-(3H-indol-2-yl)ethanol?
2-(3H-indol-2-yl)ethanol has a molecular weight of 161.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-indol-2-yl)ethanol is sourced from PubChem (CID 58419435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).