Ethyl 1H-indole-3-acetate

C₁₂H₁₃NO₂CAS 778-82-5203.24 g/mol

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Properties

Molecular formula: C₁₂H₁₃NO₂
Molar mass: 203.24 g/mol
Exact mass: 203.0946 Da
Melting point: 119.5 °C
Boiling point: 164–166 °C (at 1 Torr)
logP: 2.27Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

778-82-5

SMILES

CCOC(=O)Cc1c[nH]c2ccccc12

InChIKey

HUDBDWIQSIGUDI-UHFFFAOYSA-N

InChI

InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3

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Names and synonyms

12 names

1H-Indole-3-acetic acid, ethyl ester
Indole-3-acetic acid, ethyl ester
Ethyl indole-3-acetate
Ethyl β-indolylacetate
Ethyl indol-3-ylacetate
IAA ethyl ester
3-[(Ethoxycarbonyl)methyl]indole
NSC 38002
Ethyl 2-(1H-indol-3-yl)acetate
Ethyl 2-(indol-3-yl)acetate
(1H-Indol-3-yl)acetic acid ethyl ester
Ethyl (1H-indol-3-yl)acetate

Work with Ethyl 1H-indole-3-acetate

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

β-Indolylacetic acid methyl ester1912-33-070 % similar Indole-3-acetone1201-26-959 % similar Ethyl indole-3-carboxylate776-41-058 % similar (S)-Tryptophan ethyl ester hydrochloride2899-28-755 % similar o-Tolylacetic acid ethyl ester40291-39-255 % similar Indole-3-acetic acid87-51-455 % similar Ethyl phenylacetate101-97-353 % similar 3-Indolylacetic acid potassium salt2338-19-451 % similar

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

Same formula

2-(5-Methyl-2-phenyl-4-oxazolyl)ethanol103788-65-4 Indole-3-butyric acid133-32-4 N-Butylphthalimide1515-72-6 1-Benzoyl-4-piperidone24686-78-0 Benzyl 3-pyrroline-1-carboxylate31970-04-4 Damc87-01-4

Elsewhere

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