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

C₂₉H₂₅NO₂CAS 198479-63-9419.52 g/mol

Open in Covalent MOL file

Ether

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

Hazards

Danger

H314 Causes severe skin burns and eye damage75% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 1,3-Dibenzyloxybenzene3769-42-448 % 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 4-Benzyloxyanisole6630-18-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook