4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile

C20H23NOCAS 52364-72-4293.41 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C20H23NO
Molar mass
293.41 g/mol
Exact mass
293.1780 Da
logP
5.57Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
52364-72-4
SMILES
CCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
JPBFKTCKZLMJED-UHFFFAOYSA-N
InChI
InChI=1S/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-(heptyloxy)-
  • 4-Cyano-4′-(heptyloxy)biphenyl
  • 4-(Heptyloxy)-4′-cyanobiphenyl
  • 4-Cyano-4′-(n-heptyloxy)biphenyl
  • 4′-(Heptyloxy)-4-biphenylcarbonitrile
  • p-(Heptyloxy)-p′-cyanobiphenyl
  • 4-(n-Heptyloxy)-4′-cyanobiphenyl
  • 7COB
  • D 107
  • 7OCB
  • Ro CB 5324
  • 4-(4-Heptyloxyphenyl)benzonitrile
  • 4-Cyano-4′-heptoxy-1,1′-biphenyl
  • 4′-Heptyloxy-1,1′-biphenyl-4-carbonitrile
  • (1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-

Work with 4′-(Heptyloxy)[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′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-7100 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-5100 % similar 4′-(Pentyloxy)-4-cyanobiphenyl52364-71-397 % similar 4-N-Heptyloxybenzonitrile29147-88-491 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook