chempirical

5-Methoxy-2-methylindole-3-acetic acid

C12H13NO3CAS 2882-15-7219.24 g/mol

Open in Covalent MOL file
ONHOOH
Carboxylic acidEther

Properties

Molecular formula
C12H13NO3
Molar mass
219.24 g/mol
Exact mass
219.0895 Da
Melting point
161–162 °C
logP
2.11Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
2 / 2
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
2882-15-7
SMILES
COc1ccc2[nH]c(C)c(CC(=O)O)c2c1
InChIKey
TXWGINUZLBAKDF-UHFFFAOYSA-N
InChI
InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)

Weigh it out

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

Names and synonyms

13 names · show all
  • 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-
  • Indole-3-acetic acid, 5-methoxy-2-methyl-
  • 5-Methoxy-2-methyl-1H-indole-3-acetic acid
  • De(chlorobenzoyl)indomethacin
  • 2-Methyl-5-methoxy-3-indolylacetic acid
  • 5-Methoxy-2-methylindol-3-acetic acid
  • 2-Methyl-5-methoxyindole-3-acetic acid
  • N-Des(4-chlorobenzoyl)indomethacin
  • 5-Methoxy-2-methyl-3-indolylacetic acid
  • 2-(5-Methoxy-2-methyl-1H-indol-3-yl)acetic acid
  • NSC 97026
  • (5-Methoxy-2-methyl-1H-indol-3-yl)acetic acid
  • 2-(5-Methoxy-2-methylindol-3-yl)acetic acid

Work with 5-Methoxy-2-methylindole-3-acetic acid

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-Methoxy-2-methylindole-3-acetic acid methyl ester7588-36-570 % similar 2-Methyl-1H-indole-3-acetic acid1912-43-264 % similar 5-Methoxyindoleacetic acid3471-31-658 % similar 7-Methoxy-1-naphthaleneacetic acid6836-22-252 % similar 2,5-Dimethoxyphenylacetic acid1758-25-451 % similar 2-(2,4-Dimethoxyphenyl)acetic acid6496-89-551 % similar (4-Methoxyphenyl)acetic acid104-01-850 % similar 6-Methoxy-2-naphthylacetic acid23981-47-750 % 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 Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-5 Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook