chempirical

Indoxyl

C8H7NOCAS 480-93-3133.15 g/mol

Open in Covalent MOL file
HONH
Phenol

Properties

Molecular formula
C8H7NO
Molar mass
133.15 g/mol
Exact mass
133.0528 Da
Melting point
85–87 °C
logP
1.87Crippen estimate
Polar surface area
36.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
480-93-3
SMILES
Oc1c[nH]c2ccccc12
InChIKey
PCKPVGOLPKLUHR-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 1H-Indol-3-ol
  • Indol-3-ol
  • 3-Hydroxyindole

Work with Indoxyl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3'-Diindolylmethane1968-05-450 % similar Indole-3-carbinol700-06-150 % similar Skatole83-34-150 % similar 2-Amino-4-hydroxyquinoline42712-64-148 % similar Tryptophol526-55-648 % similar 1,4-Naphthalenediol571-60-846 % similar Indole-3-propanol3569-21-945 % similar Indole-3-carboxylic acid771-50-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 4-Hydroxybenzyl cyanide14191-95-8 3-Methoxybenzonitrile1527-89-5 5-Hydroxyindole1953-54-4 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1 Benzyl isocyanate3173-56-6

Elsewhere

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