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

C10H11NO — CID 58419373

IUPAC1-(3H-indol-2-yl)ethanol
SMILESCC(O)C1=Nc2ccccc2C1
InChIInChI=1S/C10H11NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-5,7,12H,6H2,1H3
InChIKeyNSKPEGVFHLJWSL-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.70
Rot. Bonds1

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

1-(3H-indol-2-yl)ethanol (PubChem CID 58419373) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-(3H-indol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3H-indol-2-yl)ethanol
PubChem CID58419373
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-(3H-indol-2-yl)ethanol
SMILESCC(O)C1=Nc2ccccc2C1
InChIInChI=1S/C10H11NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-5,7,12H,6H2,1H3
InChIKeyNSKPEGVFHLJWSL-UHFFFAOYSA-N
XLogP1.70
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 1-(3H-indol-2-yl)ethanol?
The IUPAC name of 1-(3H-indol-2-yl)ethanol (CID 58419373) is 1-(3H-indol-2-yl)ethanol.
What is the SMILES notation for 1-(3H-indol-2-yl)ethanol?
The canonical SMILES for 1-(3H-indol-2-yl)ethanol is CC(O)C1=Nc2ccccc2C1.
What is the InChIKey of 1-(3H-indol-2-yl)ethanol?
The InChIKey is NSKPEGVFHLJWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-5,7,12H,6H2,1H3.
What are the key properties of 1-(3H-indol-2-yl)ethanol?
1-(3H-indol-2-yl)ethanol has a molecular weight of 161.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-indol-2-yl)ethanol is sourced from PubChem (CID 58419373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).