3-(1H-indol-3-yl)propane-1,1-diol

C11H13NO2 — CID 22219738

IUPAC3-(1H-indol-3-yl)propane-1,1-diol
SMILESOC(O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11-14H,5-6H2
InChIKeyMNULMIBLOSQHNE-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.41
Rot. Bonds3

About 3-(1H-indol-3-yl)propane-1,1-diol

3-(1H-indol-3-yl)propane-1,1-diol (PubChem CID 22219738) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)propane-1,1-diol.

Molecular Properties

Compound Name3-(1H-indol-3-yl)propane-1,1-diol
PubChem CID22219738
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(1H-indol-3-yl)propane-1,1-diol
SMILESOC(O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11-14H,5-6H2
InChIKeyMNULMIBLOSQHNE-UHFFFAOYSA-N
XLogP1.41
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.41
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

2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-(1H-indol-3-yl)-1-methylsulfonylpropan-1-ol
CID 57297566
(2S)-2-amino-4-(1H-indol-3-yl)butanoic acid;hydrate
CID 140978088
4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol
CID 155203686
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229
3-(1H-indol-3-yl)propanethioamide
CID 3979253
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
8-(1H-indol-3-yl)octan-1-amine
CID 57188115

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)propane-1,1-diol?
The IUPAC name of 3-(1H-indol-3-yl)propane-1,1-diol (CID 22219738) is 3-(1H-indol-3-yl)propane-1,1-diol.
What is the SMILES notation for 3-(1H-indol-3-yl)propane-1,1-diol?
The canonical SMILES for 3-(1H-indol-3-yl)propane-1,1-diol is OC(O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)propane-1,1-diol?
The InChIKey is MNULMIBLOSQHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11-14H,5-6H2.
What are the key properties of 3-(1H-indol-3-yl)propane-1,1-diol?
3-(1H-indol-3-yl)propane-1,1-diol has a molecular weight of 191.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)propane-1,1-diol is sourced from PubChem (CID 22219738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).