chempirical

4-Benzyloxybenzonitrile

C14H11NOCAS 52805-36-4209.25 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C14H11NO
Molar mass
209.25 g/mol
Exact mass
209.0841 Da
logP
3.14Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

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
52805-36-4
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C#N
InChIKey
UDAOJHAASAWVIQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NO/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9H,11H2

Weigh it out

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

Work with 4-Benzyloxybenzonitrile

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 ether621-91-069 % similar 4-(Phenylmethoxy)benzeneacetonitrile838-96-061 % similar 4-(Benzyloxy)benzyl alcohol836-43-159 % similar 4-Benzyloxyaniline6373-46-258 % similar 4-(Phenylmethoxy)benzeneethanol61439-59-658 % similar 4-Phenoxybenzonitrile3096-81-957 % similar Monobenzone103-16-256 % similar 4-Benzyloxyiodobenzene19578-68-856 % similar

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

Same formula

DE(5-carboxamide)oxcarbazepine21737-58-6 2-Phenoxyphenylacetonitrile25562-98-5 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-6 (3-Phenoxyphenyl)acetonitrile51632-29-2 2-Methyl-5-phenylbenzoxazole61931-68-8 N-Methylacridone719-54-0 4-Phenoxyphenylacetonitrile92163-15-0

Elsewhere

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