chempirical

Methyl 4-methoxy-1H-indole-2-carboxylate

C11H11NO3CAS 111258-23-2205.21 g/mol

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Properties

Molecular formula
C11H11NO3
Molar mass
205.21 g/mol
Exact mass
205.0739 Da
logP
1.96Crippen estimate
Polar surface area
51.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
111258-23-2
SMILES
COC1=CC=CC2=C1C=C(N2)C(=O)OC
InChIKey
GLCZQTLCVLVFGV-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3

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Names and synonyms

1 names
  • Methyl 4-methoxy-2-indolecarboxylate

Work with Methyl 4-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

4-Methoxy-1H-indole-2-carboxylic acid103260-65-767 % similar Methyl 1H-indole-2-carboxylate1202-04-659 % similar Methyl 2,6-dimethoxybenzoate2065-27-254 % similar Methyl 2-methoxybenzoate606-45-149 % similar 4-Bromoindole-2-carboxylic acid ethyl ester103858-52-248 % similar Methyl 2-hydroxy-3-methoxybenzoate6342-70-747 % similar Methyl 5-(methylsulfonyl)-1H-indole-2-carboxylate205873-28-546 % similar Methyl 3,4-dimethoxybenzoate2150-38-144 % 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 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 3-Cyano-4-(1-methylethoxy)benzoic acid258273-31-3

Elsewhere

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