chempirical

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

C19H21NOCAS 41424-11-7279.38 g/mol

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ON
EtherNitrile

Properties

Molecular formula
C19H21NO
Molar mass
279.38 g/mol
Exact mass
279.1623 Da
Melting point
57 °C
logP
5.18Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
41424-11-7
SMILES
CCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
YUYXUPYNSOFWFV-UHFFFAOYSA-N
InChI
InChI=1S/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3

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Names and synonyms

15 names · show all
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-(hexyloxy)-
  • 4-Hexyloxy-4′-cyanobiphenyl
  • p-Hexyloxy-p′-cyanobiphenyl
  • CHB
  • 4′-Hexyloxy-4-cyanobiphenyl
  • 4-Cyano-4′-(hexyloxy)biphenyl
  • 4-Cyano-4′-n-hexyloxybiphenyl
  • Liquid crystal 549
  • 4-(4-Hexyloxyphenyl)benzonitrile
  • 6OCB
  • 4-(n-Hexyloxy)-4′-cyanobiphenyl
  • M 18
  • 4′-Hexyloxybiphenylyl-4-carbonitrile
  • 4′-Hexyloxy-1,1′-biphenyl-4-carbonitrile
  • 4′-(Hexyloxy)-4-biphenyl-carbonitrile

Work with 4′-(Hexyloxy)[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′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-4100 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-5100 % 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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