1-(1H-indol-3-yl)ethane-1,2-diol

C10H11NO2 — CID 25202910

IUPAC1-(1H-indol-3-yl)ethane-1,2-diol
SMILESOCC(O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H11NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-13H,6H2
InChIKeyXNJDZRGYWQBBMZ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.19
Rot. Bonds2

About 1-(1H-indol-3-yl)ethane-1,2-diol

1-(1H-indol-3-yl)ethane-1,2-diol (PubChem CID 25202910) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1H-indol-3-yl)ethane-1,2-diol
PubChem CID25202910
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-(1H-indol-3-yl)ethane-1,2-diol
SMILESOCC(O)c1c[nH]c2ccccc12
InChIInChI=1S/C10H11NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-13H,6H2
InChIKeyXNJDZRGYWQBBMZ-UHFFFAOYSA-N
XLogP1.19
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)ethane-1,2-diol?
The IUPAC name of 1-(1H-indol-3-yl)ethane-1,2-diol (CID 25202910) is 1-(1H-indol-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1H-indol-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1H-indol-3-yl)ethane-1,2-diol is OCC(O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)ethane-1,2-diol?
The InChIKey is XNJDZRGYWQBBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-13H,6H2.
What are the key properties of 1-(1H-indol-3-yl)ethane-1,2-diol?
1-(1H-indol-3-yl)ethane-1,2-diol has a molecular weight of 177.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)ethane-1,2-diol is sourced from PubChem (CID 25202910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).