4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile

C₁₅H₁₃NOCAS 58743-78-5223.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₃NO
Molar mass: 223.28 g/mol
Exact mass: 223.0997 Da
logP: 3.62Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

58743-78-5

SMILES

CCOc1ccc(-c2ccc(C#N)cc2)cc1

InChIKey

VETJRGXWDLHERN-UHFFFAOYSA-N

InChI

InChI=1S/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names

[1,1′-Biphenyl]-4-carbonitrile, 4′-ethoxy-
4-Ethoxy-4′-cyanobiphenyl
4′-Ethoxy-[1,1′-biphenyl]-4-carbonitrile

Work with 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile

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′-Propoxy[1,1′-biphenyl]-4-carbonitrile52709-86-175 % similar 4′-Butoxy[1,1′-biphenyl]-4-carbonitrile52709-87-271 % similar 4′-(Pentyloxy)-4-cyanobiphenyl52364-71-369 % similar 4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-767 % similar 4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-467 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-567 % similar 4-Butoxybenzonitrile5203-14-562 % similar 4-(Octyloxy)benzonitrile88374-55-458 % 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 3-(Phenylmethoxy)benzeneacetonitrile20967-96-8 10-Methoxy-5H-dibenz[B,F]azepine4698-11-7 2-Acetylaminofluorene53-96-3 9-Ethyl-3-carbazolecarboxaldehyde7570-45-8 4-(Phenylmethoxy)benzeneacetonitrile838-96-0

Elsewhere

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