chempirical

3-(Phenylmethoxy)benzeneacetonitrile

C15H13NOCAS 20967-96-8223.27 g/mol

Open in Covalent MOL file
NO
EtherNitrile

Properties

Molecular formula
C15H13NO
Molar mass
223.27 g/mol
Exact mass
223.0997 Da
Boiling point
162–166 °C (at 0.55 Torr)
logP
3.33Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
20967-96-8
SMILES
N#CCc1cccc(OCc2ccccc2)c1
InChIKey
CKZFVIPFANUBDW-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h1-8,11H,9,12H2

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Names and synonyms

7 names
  • Benzeneacetonitrile, 3-(phenylmethoxy)-
  • Acetonitrile, [m-(benzyloxy)phenyl]-
  • [m-(Benzyloxy)phenyl]acetonitrile
  • [3-(Benzyloxy)phenyl]acetonitrile
  • 3′-Benzyloxyphenylacetonitrile
  • 2-[3-(Benzyloxy)phenyl]acetonitrile
  • 2-(3-Phenylmethoxyphenyl)acetonitrile

Work with 3-(Phenylmethoxy)benzeneacetonitrile

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-Phenoxyphenyl)acetonitrile51632-29-270 % similar (3-Methoxyphenyl)acetonitrile19924-43-763 % similar 3-(Phenylmethoxy)benzenemethanol1700-30-760 % similar 3-Benzyloxybenzyl bromide1700-31-860 % similar 1,3-Benzenediacetonitrile626-22-260 % similar 2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-858 % similar 1-Iodo-3-(phenylmethoxy)benzene107623-21-256 % similar 3-(Benzyloxy)aniline1484-26-056 % 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 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

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