Ethyl 5-methoxy-1H-indole-2-carboxylate

C12H13NO3CAS 4792-58-9219.24 g/mol

Open in Covalent MOL file
OOONH
EsterEther

Properties

Molecular formula
C12H13NO3
Molar mass
219.24 g/mol
Exact mass
219.0895 Da
Melting point
156 °C
logP
2.35Crippen estimate
Polar surface area
51.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

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
4792-58-9
SMILES
CCOC(=O)c1cc2cc(OC)ccc2[nH]1
InChIKey
NPIUAXNFAUGNHP-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 1H-Indole-2-carboxylic acid, 5-methoxy-, ethyl ester
  • 5-Methoxyindole-2-carboxylic acid ethyl ester
  • 2-Carbethoxy-5-methoxyindole
  • 5-Methoxy-2-carbethoxyindole
  • 2-Ethoxycarbonyl-5-methoxyindole
  • NSC 30929
  • Ethyl 5-methoxy-2,3-1H-indole-2-carboxylate
  • Indole-2-carboxylic acid, 5-methoxy-, ethyl ester
  • Ethyl 5-methoxyindole-2-carboxylate

Work with Ethyl 5-methoxy-1H-indole-2-carboxylate

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

Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-470 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-368 % similar Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate37033-95-767 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-067 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-167 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-767 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-067 % similar Ethyl 1H-indole-2-carboxylate3770-50-165 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-6 Benzyl 3-oxocyclobutylcarbamate130369-36-7 (S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone132836-66-9 2-Butyl-5-nitrobenzofuran133238-87-6 1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid133747-57-6 (4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-4 5-Methoxy-2-methylindole-3-acetic acid2882-15-7 Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook