chempirical

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

C11H11NO3CAS 24985-85-1205.21 g/mol

Open in Covalent MOL file
OOOHNH
EsterPhenol

Properties

Molecular formula
C11H11NO3
Molar mass
205.21 g/mol
Exact mass
205.0739 Da
Melting point
146–148 °C
logP
2.05Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
24985-85-1
SMILES
CCOC(=O)c1cc2cc(O)ccc2[nH]1
InChIKey
WANAXLMRGYGCPC-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10/h3-6,12-13H,2H2,1H3

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Names and synonyms

5 names
  • 1H-Indole-2-carboxylic acid, 5-hydroxy-, ethyl ester
  • Indole-2-carboxylic acid, 5-hydroxy-, ethyl ester
  • 5-Hydroxyindole-2-carboxylic acid ethyl ester
  • Ethyl 5-hydroxyindole-2-carboxylate
  • 5-Hydroxy-1H-indole-2-carboxylic acid ethyl ester

Work with Ethyl 5-hydroxy-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-fluoroindole-2-carboxylate348-36-768 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-068 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-967 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-461 % similar Ethyl 6-bromoindole-2-carboxylate103858-53-361 % similar Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate37033-95-759 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-857 % similar 5-Hydroxyindole-2-carboxylic acid21598-06-156 % 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 3-Cyano-4-(1-methylethoxy)benzoic acid258273-31-3

Elsewhere

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