chempirical

2-Benzyloxyphenylacetonitrile

C15H13NOCAS 92552-22-2223.27 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C15H13NO
Molar mass
223.27 g/mol
Exact mass
223.0997 Da
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
92552-22-2
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2CC#N
InChIKey
WAQPXLOPRNLIGZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H13NO/c16-11-10-14-8-4-5-9-15(14)17-12-13-6-2-1-3-7-13/h1-9H,10,12H2

Weigh it out

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Work with 2-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

4-Benzyloxy-3-indoleacetonitrile1464-11-561 % similar 2-Phenoxyphenylacetonitrile25562-98-559 % similar 4-Benzyloxy-3-methoxyphenylacetonitrile1700-29-457 % similar 4-Benzyloxyphenylacetonitrile838-96-057 % similar 2-Methoxybenzeneacetonitrile7035-03-256 % similar o-Phenylenediacetonitrile613-23-052 % similar 1,2-Benzenediacetonitrile613-73-052 % similar 2-Triflnoromethoxybenzyl cyanide137218-25-851 % 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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