chempirical

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

C16H15NOCAS 52709-86-1237.30 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C16H15NO
Molar mass
237.30 g/mol
Exact mass
237.1154 Da
logP
4.01Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
52709-86-1
SMILES
CCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
RZCQJZFWJZHMPK-UHFFFAOYSA-N
InChI
InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-propoxy-
  • 4′-Propoxy-4-biphenylcarbonitrile
  • 4-Cyano-4′-propoxybiphenyl
  • 4-Cyano-4′-n-propyloxybiphenyl
  • p-Propyloxy-p′-cyanobiphenyl
  • 4-Cyano-4′-propyloxybiphenyl
  • 4-Propoxy-4′-cyanobiphenyl
  • 4′-Propoxy-4-cyanobiphenyl
  • 3OCB
  • 4-(n-Propoxy)-4′-cyano-1,1′-biphenyl
  • 4-Cyano-4′-propoxy-1,1′-biphenyl

Work with 4′-Propoxy[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′-Butoxy[1,1′-biphenyl]-4-carbonitrile52709-87-282 % similar 4′-(Pentyloxy)-4-cyanobiphenyl52364-71-379 % similar 4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-777 % similar 4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-477 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-577 % similar 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-575 % similar 4-Butoxybenzonitrile5203-14-573 % similar 4-(Octyloxy)benzonitrile88374-55-469 % similar

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

Elsewhere

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