5-Benzyloxyindole

C₁₅H₁₃NOCAS 1215-59-4223.28 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₁₅H₁₃NO
Molar mass: 223.28 g/mol
Exact mass: 223.0997 Da
Melting point: 96–97 °C
Boiling point: 200–210 °C (at 0.1 Torr)
logP: 3.75Crippen estimate
Polar surface area: 25.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Danger

H228 Flammable solid10% of notifiers
H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation90% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

1215-59-4

SMILES

c1ccc(COc2ccc3[nH]ccc3c2)cc1

InChIKey

JCQLPDZCNSVBMS-UHFFFAOYSA-N

InChI

InChI=1S/C15H13NO/c1-2-4-12(5-3-1)11-17-14-6-7-15-13(10-14)8-9-16-15/h1-10,16H,11H2

Weigh it out

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

Names and synonyms

8 names

1H-Indole, 5-(phenylmethoxy)-
Indole, 5-(benzyloxy)-
5-(Phenylmethoxy)-1H-indole
5-(Phenylmethoxy)indole
5-(Benzyloxy)-1H-indole
Benzyl 1H-indol-5-yl ether
NSC 62895
CC-1-17

Work with 5-Benzyloxyindole

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

Benzyl 2-naphthyl ether613-62-760 % similar 5-Ethoxy-1H-indole10501-17-459 % similar 4-Benzyloxy-2(1H)-pyridone53937-02-358 % similar Hydroquinone dibenzyl ether621-91-053 % similar 1,3-Dibenzyloxybenzene3769-42-453 % similar 5-Methoxyindole1006-94-651 % similar 5-(Benzyloxy)tryptamine20776-45-851 % similar 5-(Phenylmethoxy)-1H-indole-3-carboxaldehyde6953-22-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-(Phenylmethoxy)-1H-indole15903-94-3 4-Benzyloxyindole20289-26-3 7-(Benzyloxy)-1H-indole20289-27-4 3-Benzyloxyphenylacetonitrile20967-96-8 10-Methoxy-5H-dibenz[b,f]azepine4698-11-7 2-Acetylaminofluorene53-96-3 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-5 9-Ethyl-3-carbazolecarboxaldehyde7570-45-8

Elsewhere

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