2-(5-methoxy-1H-indol-3-yl)ethanol

C11H13NO2 — CID 12835

IUPAC2-(5-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
InChIKeyQLWKTGDEPLRFAT-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.71
Rot. Bonds3

About 2-(5-methoxy-1H-indol-3-yl)ethanol

2-(5-methoxy-1H-indol-3-yl)ethanol (PubChem CID 12835) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)ethanol
PubChem CID12835
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-(5-methoxy-1H-indol-3-yl)ethanol
SMILESCOc1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
InChIKeyQLWKTGDEPLRFAT-UHFFFAOYSA-N
XLogP1.71
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)ethanol (CID 12835) is 2-(5-methoxy-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)ethanol is COc1ccc2[nH]cc(CCO)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)ethanol?
The InChIKey is QLWKTGDEPLRFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3.
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)ethanol?
2-(5-methoxy-1H-indol-3-yl)ethanol has a molecular weight of 191.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)ethanol is sourced from PubChem (CID 12835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).