3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole

C₂₉H₂₅NO₂CAS 198479-63-9419.52 g/mol

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Properties

Molecular formula: C₂₉H₂₅NO₂
Molar mass: 419.52 g/mol
Exact mass: 419.1885 Da
logP: 7.30Crippen estimate
Polar surface area: 34.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 7

Identifiers

CAS number

198479-63-9

SMILES

Cc1c(-c2ccc(OCc3ccccc3)cc2)[nH]c2ccc(OCc3ccccc3)cc12

InChIKey

KRIJKJMYOVWRSJ-UHFFFAOYSA-N

InChI

InChI=1S/C29H25NO2/c1-21-27-18-26(32-20-23-10-6-3-7-11-23)16-17-28(27)30-29(21)24-12-14-25(15-13-24)31-19-22-8-4-2-5-9-22/h2-18,30H,19-20H2,1H3

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Names and synonyms

3 names

1H-Indole, 3-methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-
5-(Benzyloxy)-2-[4-(benzyloxy)phenyl]-3-methyl-1H-indole
2-(4-Benzyloxyphenyl)-5-benzyloxy-3-methyl-1H-indole

Work with 3-Methyl-5-(phenylmethoxy)-2-[4-(phenylmethoxy)phenyl]-1H-indole

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-(Benzyloxy)tryptamine20776-45-850 % similar Hydroquinone dibenzyl ether621-91-047 % similar 5-(Benzyloxy)tryptamine monohydrochloride52055-23-947 % similar 5-Benzyloxyindole1215-59-447 % similar N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine1453-97-045 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-644 % similar 6-(Phenylmethoxy)-1H-indole15903-94-344 % similar 4-Benzyloxy-1-bromo-2-methylbenzene17671-75-944 % similar

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

Elsewhere

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