Indoxyl

C₈H₇NOCAS 480-93-3133.15 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.5% of notifiers
H311 Toxic in contact with skin97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H400 Very toxic to aquatic life97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P391, P405, P501

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-Bromoindole1484-27-150 % similar 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 3-Cyanoindole5457-28-347 % similar 1,4-Naphthalenediol571-60-846 % 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 7-Hydroxyindole2380-84-9 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia