5-Benzyloxyindole-3-acetic acid

C₁₇H₁₅NO₃CAS 4382-53-0281.31 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₁₇H₁₅NO₃
Molar mass: 281.31 g/mol
Exact mass: 281.1052 Da
logP: 3.37Crippen estimate
Polar surface area: 62.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

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

4382-53-0

SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(=O)O

InChIKey

GKIOPUYLJUOZHJ-UHFFFAOYSA-N

InChI

InChI=1S/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20)

Weigh it out

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Work with 5-Benzyloxyindole-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-Methoxyindoleacetic acid3471-31-665 % similar 5-(Phenylmethoxy)tryptophan6383-70-664 % similar 5-(Benzyloxy)tryptamine20776-45-861 % similar 2-[5-(Benzyloxy)-1H-indol-3-yl]acetonitrile2436-15-960 % similar Indole-3-acetic acid87-51-460 % similar N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-059 % similar 4-Benzyloxyphenylacetic acid6547-53-159 % similar 5-Hydroxyindoleacetic acid1321-73-958 % similar

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

Same formula

7-(Benzyloxy)-6-methoxyquinolin-4-ol205448-29-9 2,3-Dihydro-5,6-dimethoxy-2-(4-pyridinylmethylene)-1H-inden-1-one4803-74-1

Elsewhere

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