chempirical

1-(3-Hydroxy-1H-indol-1-yl)ethanone

C10H9NO2CAS 33025-60-4175.19 g/mol

Open in Covalent MOL file
ONOH
Phenol

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Melting point
136 °C
logP
2.01Crippen estimate
Polar surface area
42.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
33025-60-4
SMILES
CC(=O)n1cc(O)c2ccccc21
InChIKey
NNJXIAOPPYUVAX-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-6,13H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 1-(3-hydroxy-1H-indol-1-yl)-
  • 1H-Indol-3-ol, 1-acetyl-
  • Indoxyl, 1-acetyl-
  • N-Acetylindol-3-ol
  • 1-(3-Hydroxyindol-1-yl)ethanone
  • 1-Acetyl-3-hydroxyindole
  • N-Acetyl-3-hydroxyindole
  • N-Acetylindoxyl

Work with 1-(3-Hydroxy-1H-indol-1-yl)ethanone

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

N-Acetyl-5-bromo-3-hydroxyindole114165-30-964 % similar 1,1′-(1H-Indole-1,3-diyl)bis[ethanone]17537-64-361 % similar 1-Acetylindole-3-carboxaldehyde22948-94-361 % similar 1-(1H-Indol-1-yl)ethanone576-15-847 % similar 1,4-Dihydroxyanthraquinone81-64-137 % similar 3-Acetyl-2(3H)-benzoxazolone24963-28-836 % similar 1-Methyl-1H-indole-3-carboxylic acid32387-21-636 % similar 2'-Hydroxyacetophenone104809-67-836 % similar

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

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carbaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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