4-Benzyloxyindole

C₁₅H₁₃NOCAS 20289-26-3223.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₃NO
Molar mass: 223.28 g/mol
Exact mass: 223.0997 Da
Melting point: 72–74 °C
logP: 3.75Crippen estimate
Polar surface area: 25.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20289-26-3

SMILES

c1ccc(COc2cccc3[nH]ccc23)cc1

InChIKey

LJFVSIDBFJPKLD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

1H-Indole, 4-(phenylmethoxy)-
Indole, 4-(benzyloxy)-
4-(Phenylmethoxy)-1H-indole
4-Benzyloxy-1H-indole
NSC 92539
CC-1-33

Reactions

Indoles from 2-methylnitrobenzenes by condensation with formamide acetals followed by reduction: 4-benzyloxyindole (1H-Indole, 4-(phenylmethoxy)-)product

Work with 4-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

2-Benzyloxyaniline20012-63-946 % similar 2-(Phenylmethoxy)phenol6272-38-446 % similar Pindolol13523-86-945 % similar 2-(Benzyloxy)benzaldehyde5896-17-343 % similar 4-Chloroindole25235-85-242 % similar 4-Bromoindole52488-36-542 % similar Hydroquinone dibenzyl ether621-91-041 % similar Indole-4-methanol1074-85-741 % similar

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

Same formula

5-Benzyloxyindole1215-59-4 6-(Phenylmethoxy)-1H-indole15903-94-3 3-(Phenylmethoxy)benzeneacetonitrile20967-96-8 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 4-(Phenylmethoxy)benzeneacetonitrile838-96-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook