chempirical

4-Benzyloxy-3-methoxyphenylacetonitrile

C16H15NO2CAS 1700-29-4253.30 g/mol

Open in Covalent MOL file
ONO
EtherNitrile

Properties

Molecular formula
C16H15NO2
Molar mass
253.30 g/mol
Exact mass
253.1103 Da
logP
3.34Crippen estimate
Polar surface area
42.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
1700-29-4
SMILES
COC1=C(C=CC(=C1)CC#N)OCC2=CC=CC=C2
InChIKey
KSOYPRFHKIOHMY-UHFFFAOYSA-N
InChI
InChI=1S/C16H15NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9,12H2,1H3

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Work with 4-Benzyloxy-3-methoxyphenylacetonitrile

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

3,4-Dimethoxybenzeneacetonitrile93-17-472 % similar (4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-157 % similar 1,3-Benzodioxole-5-acetonitrile4439-02-556 % similar 3-(Phenylmethoxy)benzeneacetonitrile20967-96-856 % similar 3,4-Diethoxybenzeneacetonitrile27472-21-556 % similar Benzyl isoeugenol120-11-656 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-156 % similar 4-(Phenylmethoxy)benzeneacetonitrile838-96-055 % similar

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

Same formula

N-(Cinnamoyl)-3-methoxyaniline127033-74-3 (5S,6R)-5,6-Diphenyl-2-morpholinone144538-22-7

Elsewhere

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