5-Hydroxyindole

C8H7NOCAS 1953-54-4133.15 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
107–108 °C
logP
1.87Crippen estimate
Polar surface area
36.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1953-54-4
SMILES
Oc1ccc2[nH]ccc2c1
InChIKey
LMIQERWZRIFWNZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indol-5-ol
  • Indol-5-ol
  • 5-Hydroxy-1H-indole
  • NSC 87503

Work with 5-Hydroxyindole

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

5-Bromoindole10075-50-057 % similar 5,6-Dihydroxyindole3131-52-054 % similar 5-Methylindole614-96-054 % similar 5-Indolylboronic acid144104-59-653 % similar 5-Iodo-1H-indole16066-91-452 % similar 5-Chloroindole17422-32-152 % similar 5-Fluoroindole399-52-052 % similar 5-Aminoindole5192-03-052 % 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 7-Hydroxyindole2380-84-9 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1 6,7-Dihydro-5H-1-pyridin-5-one28566-14-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook