chempirical

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

C17H17NOCAS 52709-87-2251.33 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C17H17NO
Molar mass
251.33 g/mol
Exact mass
251.1310 Da
Melting point
78 °C
logP
4.40Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
52709-87-2
SMILES
CCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
KPQVQWUNELODQE-UHFFFAOYSA-N
InChI
InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-butoxy-
  • 4′-Butoxy-4-biphenylcarbonitrile
  • 4′-n-Butyloxy-4-cyanobiphenyl
  • 4-Cyano-4′-n-butoxybiphenyl
  • 4OCB
  • 4-(n-Butoxy)-4′-cyano-1,1′-biphenyl
  • 4′-Butoxy-4-cyanobiphenyl
  • 4′-Butoxy-1,1′-biphenyl-4-carbonitrile

Work with 4′-Butoxy[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′-(Pentyloxy)-4-cyanobiphenyl52364-71-391 % similar 4-Butoxybenzonitrile5203-14-590 % similar 4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-788 % similar 4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-488 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-588 % similar 4′-Propoxy[1,1′-biphenyl]-4-carbonitrile52709-86-182 % similar 4-(Octyloxy)benzonitrile88374-55-479 % similar 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile58743-78-571 % similar

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

Elsewhere

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