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

C10H11NO2 — CID 21400411

IUPAC2-(1H-indol-3-yl)ethane-1,1-diol
SMILESOC(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H11NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10-13H,5H2
InChIKeyPGZPVOBZCAEBGT-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.02
Rot. Bonds2

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

2-(1H-indol-3-yl)ethane-1,1-diol (PubChem CID 21400411) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethane-1,1-diol
PubChem CID21400411
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(1H-indol-3-yl)ethane-1,1-diol
SMILESOC(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H11NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10-13H,5H2
InChIKeyPGZPVOBZCAEBGT-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoate
CID 6920148
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
1-(4-fluorophenyl)-2-(1H-indol-3-yl)ethanol
CID 175092727
1-(1H-indol-3-yl)-3-(methylamino)propan-2-ol
CID 83638401
3-(2-fluoropropyl)-1H-indole
CID 142409179
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
3-(3-bromo-2-fluoropropyl)-1H-indole
CID 134163131
1-(1H-indol-3-yl)butan-2-amine
CID 8367

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethane-1,1-diol?
The IUPAC name of 2-(1H-indol-3-yl)ethane-1,1-diol (CID 21400411) is 2-(1H-indol-3-yl)ethane-1,1-diol.
What is the SMILES notation for 2-(1H-indol-3-yl)ethane-1,1-diol?
The canonical SMILES for 2-(1H-indol-3-yl)ethane-1,1-diol is OC(O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethane-1,1-diol?
The InChIKey is PGZPVOBZCAEBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10-13H,5H2.
What are the key properties of 2-(1H-indol-3-yl)ethane-1,1-diol?
2-(1H-indol-3-yl)ethane-1,1-diol has a molecular weight of 177.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethane-1,1-diol is sourced from PubChem (CID 21400411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).