chempirical

5-Methoxyindoleacetic acid

C11H11NO3CAS 3471-31-6205.21 g/mol

Open in Covalent MOL file
ONHOOH
Carboxylic acidEther

Properties

Molecular formula
C11H11NO3
Molar mass
205.21 g/mol
Exact mass
205.0739 Da
Melting point
146–147 °C
logP
1.80Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
3471-31-6
SMILES
COc1ccc2[nH]cc(CC(=O)O)c2c1
InChIKey
COCNDHOPIHDTHK-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)

Weigh it out

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

Names and synonyms

11 names
  • 1H-Indole-3-acetic acid, 5-methoxy-
  • Indole-3-acetic acid, 5-methoxy-
  • 5-Methoxy-1H-indole-3-acetic acid
  • 5-Methoxy-3-indoleacetic acid
  • 5-Methoxy-3-indolylacetic acid
  • 5-Methyloxyindole-3-acetic acid
  • Methoxyindoleacetic acid
  • 5-Methoxy-IAA
  • 2-(5-Methoxy-3-indolyl)acetic acid
  • 2-(5-Methoxy-1H-indol-3-yl)acetic acid
  • (5-Methoxy-1H-indol-3-yl)acetic acid

Work with 5-Methoxyindoleacetic 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-Methyl-3-indoleacetic acid1912-47-667 % similar 5-Hydroxyindoleacetic acid1321-73-965 % similar 5-Hydroxyindoleacetic acid54-16-065 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-664 % similar 5-Fluoroindole-3-acetic acid443-73-264 % similar 7-Methoxy-1-naphthaleneacetic acid6836-22-261 % similar 2,5-Dimethoxyphenylacetic acid1758-25-460 % similar 5-Methoxytryptophol712-09-460 % similar

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

Same formula

(S)-1-Benzyl-3-hydroxypyrrolidine-2,5-dione101469-91-4 Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-2 Rel-(3R,4S)-3-(acetyloxy)-4-phenyl-2-azetidinone133066-59-8 6,7-Dimethoxy-4-hydroxyquinoline13425-93-9 (2Z)-4-Oxo-4-[(phenylmethyl)amino]-2-butenoic acid15329-69-8 Ethyl 5-aminobenzofuran-2-carboxylate174775-48-5 Indole-3-lactic acid1821-52-9 Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-1

Elsewhere

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