chempirical

Indole-3-carbinol

C9H9NOCAS 700-06-1147.18 g/mol

Open in Covalent MOL file
HONH
Alcohol

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Melting point
90 °C
logP
1.66Crippen estimate
Polar surface area
36.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
700-06-1
SMILES
OCc1c[nH]c2ccccc12
InChIKey
IVYPNXXAYMYVSP-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2

Weigh it out

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

Names and synonyms

9 names
  • 1H-Indole-3-methanol
  • Indole-3-methanol
  • 3-(Hydroxymethyl)indole
  • 3-Indolylcarbinol
  • 3-Indolylmethanol
  • NSC 525801
  • Indinol
  • 1H-Indol-3-ylmethanol
  • (1H-Indol-3-yl)methanol

Work with Indole-3-carbinol

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

Tryptophol526-55-669 % similar 3,3'-Diindolylmethane1968-05-467 % similar Indole-3-propanol3569-21-965 % similar 3-(2-Bromoethyl)indole3389-21-758 % similar Tryptamine61-54-158 % similar Indole-3-acetonitrile771-51-756 % similar L-Tryptophanol2899-29-856 % similar Indole-3-acetaldehyde2591-98-255 % similar

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

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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