chempirical

4-Benzyloxyphenylacetonitrile

C15H13NOCAS 838-96-0223.28 g/mol

Open in Covalent MOL file
NO
EtherNitrile

Properties

Molecular formula
C15H13NO
Molar mass
223.28 g/mol
Exact mass
223.0997 Da
Melting point
68.5–69 °C
Boiling point
170–173 °C (at 0.125 Torr)
logP
3.33Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
838-96-0
SMILES
N#CCc1ccc(OCc2ccccc2)cc1
InChIKey
QKEYZRVDFZDOEP-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2

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Names and synonyms

8 names
  • 4-(Phenylmethoxy)benzeneacetonitrile
  • Benzeneacetonitrile, 4-(phenylmethoxy)-
  • Acetonitrile, [p-(benzyloxy)phenyl]-
  • p-(Benzyloxy)benzyl cyanide
  • 4-(Benzyloxy)phenylacetonitrile
  • 1-[4-(Benzyloxy)phenyl]acetonitrile
  • 2-[4-(Benzyloxy)phenyl]acetonitrile
  • 2-(4-Phenylmethoxyphenyl)acetonitrile

Work with 4-Benzyloxyphenylacetonitrile

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

Hydroquinone dibenzyl ether621-91-067 % similar 4-Phenoxyphenylacetonitrile92163-15-065 % similar Benzyl cyanide140-29-463 % similar Benzyl phenyl ether946-80-561 % similar 4-Benzyloxybenzonitrile52805-36-461 % similar 2-(4-Ethoxyphenyl)acetonitrile6775-77-561 % similar 4-Benzylphenylacetonitrile101096-72-460 % similar 4-Benzyloxybenzyl chloride836-42-058 % 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 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

Elsewhere

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