3-(2-hydroxyethyl)indol-3-ol

C10H11NO2 — CID 22134366

IUPAC3-(2-hydroxyethyl)indol-3-ol
SMILESOCCC1(O)C=Nc2ccccc21
InChIInChI=1S/C10H11NO2/c12-6-5-10(13)7-11-9-4-2-1-3-8(9)10/h1-4,7,12-13H,5-6H2
InChIKeyURBKODAMYQNRCZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.97
Rot. Bonds2

About 3-(2-hydroxyethyl)indol-3-ol

3-(2-hydroxyethyl)indol-3-ol (PubChem CID 22134366) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)indol-3-ol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)indol-3-ol
PubChem CID22134366
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-(2-hydroxyethyl)indol-3-ol
SMILESOCCC1(O)C=Nc2ccccc21
InChIInChI=1S/C10H11NO2/c12-6-5-10(13)7-11-9-4-2-1-3-8(9)10/h1-4,7,12-13H,5-6H2
InChIKeyURBKODAMYQNRCZ-UHFFFAOYSA-N
XLogP0.97
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)indol-3-ol?
The IUPAC name of 3-(2-hydroxyethyl)indol-3-ol (CID 22134366) is 3-(2-hydroxyethyl)indol-3-ol.
What is the SMILES notation for 3-(2-hydroxyethyl)indol-3-ol?
The canonical SMILES for 3-(2-hydroxyethyl)indol-3-ol is OCCC1(O)C=Nc2ccccc21.
What is the InChIKey of 3-(2-hydroxyethyl)indol-3-ol?
The InChIKey is URBKODAMYQNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-5-10(13)7-11-9-4-2-1-3-8(9)10/h1-4,7,12-13H,5-6H2.
What are the key properties of 3-(2-hydroxyethyl)indol-3-ol?
3-(2-hydroxyethyl)indol-3-ol has a molecular weight of 177.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)indol-3-ol is sourced from PubChem (CID 22134366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).