chempirical

7-(Benzyloxy)-1H-indole

C15H13NOCAS 20289-27-4223.28 g/mol

Open in Covalent MOL file
OHN
Ether

Properties

Molecular formula
C15H13NO
Molar mass
223.28 g/mol
Exact mass
223.0997 Da
logP
3.75Crippen estimate
Polar surface area
25.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
20289-27-4
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3
InChIKey
DIGZMTAFOACVBW-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-17-14-8-4-7-13-9-10-16-15(13)14/h1-10,16H,11H2

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

Names and synonyms

1 names
  • 7-Benzyloxyindole

Work with 7-(Benzyloxy)-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

7-Methoxyindole3189-22-853 % similar 2-Benzyloxyaniline20012-63-946 % similar 2-(Phenylmethoxy)phenol6272-38-446 % similar 2-Benzyloxyphenylboronic acid190661-29-143 % similar 2-(Benzyloxy)benzaldehyde5896-17-343 % similar 4-Benzyloxy-3-indoleacetonitrile1464-11-542 % similar 1,3-Dibenzyloxybenzene3769-42-442 % similar 7-Chloroindole53924-05-342 % 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 4-Benzyloxyindole20289-26-3 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

Elsewhere

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