chempirical

4-Benzyloxy-3-indoleacetonitrile

C17H14N2OCAS 1464-11-5262.31 g/mol

Open in Covalent MOL file
ONHN
EtherNitrile

Properties

Molecular formula
C17H14N2O
Molar mass
262.31 g/mol
Exact mass
262.1106 Da
logP
3.81Crippen estimate
Polar surface area
48.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
1464-11-5
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)CC#N
InChIKey
OCROQGOQZBRSBQ-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2O/c18-10-9-14-11-19-15-7-4-8-16(17(14)15)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9,12H2

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Names and synonyms

1 names
  • 2-[4-(Benzyloxy)-1H-indol-3-yl]acetonitrile

Work with 4-Benzyloxy-3-indoleacetonitrile

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

3-(Phenylmethoxy)benzeneacetonitrile20967-96-849 % similar Indole-3-acetonitrile771-51-749 % similar 4-(Phenylmethoxy)benzeneacetonitrile838-96-044 % similar 1,3-Benzenediacetonitrile626-22-239 % similar 5-(Benzyloxy)tryptamine20776-45-839 % similar (3-Phenoxyphenyl)acetonitrile51632-29-238 % similar 2-Benzyloxyaniline20012-63-938 % similar 2-(Phenylmethoxy)phenol6272-38-438 % similar

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

Same formula

Orange ot2646-17-5

Elsewhere

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