chempirical

4′-(Octyloxy)-4-cyanobiphenyl

C21H25NOCAS 52364-73-5307.44 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C21H25NO
Molar mass
307.44 g/mol
Exact mass
307.1936 Da
logP
5.96Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Identifiers

CAS number
52364-73-5
SMILES
CCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
GPGGNNIMKOVSAG-UHFFFAOYSA-N
InChI
InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all
  • p-(Octyloxy)-p′-cyanobiphenyl
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-(octyloxy)-
  • 4′-(Octyloxy)[1,1′-biphenyl]-4-carbonitrile
  • 4-Cyano-4′-(octyloxy)-1,1′-biphenyl
  • 4-Cyano-4′-(octyloxy)biphenyl
  • p-Cyano-p′-(octyloxy)biphenyl
  • 4′-(n-Octyloxy)-4-cyanobiphenyl
  • 4-(Octyloxy)-4′-cyanobiphenyl
  • 4-Cyano-4′-(n-octyloxy)biphenyl
  • 4′-(Octyloxy)-4-biphenylcarbonitrile
  • 8OCB
  • M 24 (Liquid crystal)
  • M 24
  • 4-(4-Octyloxyphenyl)benzonitrile
  • 4-Cyano-4′-octoxy-1,1′-biphenyl
  • 4′-Octyloxy-1,1′-biphenyl-4-carbonitrile
  • 4-Cyano-4′-n-octyloxy-1,1′-biphenyl

Work with 4′-(Octyloxy)-4-cyanobiphenyl

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′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-7100 % similar 4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-4100 % similar 4′-(Pentyloxy)-4-cyanobiphenyl52364-71-397 % similar 4-(Octyloxy)benzonitrile88374-55-491 % similar 4′-Butoxy[1,1′-biphenyl]-4-carbonitrile52709-87-288 % similar 4-Butoxybenzonitrile5203-14-579 % similar 4′-Propoxy[1,1′-biphenyl]-4-carbonitrile52709-86-177 % similar 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-567 % similar

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

Elsewhere

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