chempirical

4′-(Pentyloxy)-4-cyanobiphenyl

C18H19NOCAS 52364-71-3265.36 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C18H19NO
Molar mass
265.36 g/mol
Exact mass
265.1467 Da
logP
4.79Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
52364-71-3
SMILES
CCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
RDISTOCQRJJICR-UHFFFAOYSA-N
InChI
InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3

Weigh it out

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

Names and synonyms

25 names · show all
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-(pentyloxy)-
  • 4′-(Pentyloxy)[1,1′-biphenyl]-4-carbonitrile
  • 4-Cyano-4′-pentoxybiphenyl
  • 4-Cyano-4′-(pentyloxy)biphenyl
  • 4-(Pentyloxy)-4′-cyanobiphenyl
  • 4-Cyano-4′-(n-pentyloxy)biphenyl
  • p-(Amyloxy)-p′-cyanodiphenyl
  • p-(Pentyloxy)-p′-cyanobiphenyl
  • 4-(n-Amyloxy)-4′-cyanobiphenyl
  • 5COB
  • D 105 (Stationary phase)
  • 5OCB
  • D 105
  • p-(Amyloxy)-p′-cyanobiphenyl
  • Ro CB 5315
  • NZhK 1
  • M 15 (Liquid crystal)
  • M 15
  • 4-(Amyloxy)-4′-cyanobiphenyl
  • 4-(n-Pentyloxy)-4′-cyanobiphenyl
  • 4-Pentoxy-4′-cyanobiphenyl
  • 4-(n-Pentyloxy)-4′-cyano-1,1′-biphenyl
  • 4′-(Pentyloxy)-4-biphenylcarbonitrile
  • 4-Cyano-4′-pentoxy-1,1′-biphenyl
  • 4′-Pentoxy-1,1′-biphenyl-4-carbonitrile

Work with 4′-(Pentyloxy)-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-carbonitrile41424-11-797 % similar 4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-497 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-597 % similar 4′-Butoxy[1,1′-biphenyl]-4-carbonitrile52709-87-291 % similar 4-(Octyloxy)benzonitrile88374-55-488 % similar 4-Butoxybenzonitrile5203-14-582 % similar 4′-Propoxy[1,1′-biphenyl]-4-carbonitrile52709-86-179 % similar 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-569 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook