chempirical

4-(Octyloxy)benzonitrile

C15H21NOCAS 88374-55-4231.34 g/mol

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ON
EtherNitrile

Properties

Molecular formula
C15H21NO
Molar mass
231.34 g/mol
Exact mass
231.1623 Da
Melting point
26.7–27 °C
Boiling point
171–173 °C (at 2 Torr)
logP
4.30Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
8

Identifiers

CAS number
88374-55-4
SMILES
CCCCCCCCOc1ccc(C#N)cc1
InChIKey
GFNSBTARZPEIPN-UHFFFAOYSA-N
InChI
InChI=1S/C15H21NO/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11H,2-7,12H2,1H3

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

Names and synonyms

3 names
  • Benzonitrile, 4-(octyloxy)-
  • 4-Octyloxybenzonitrile
  • 4-Octoxybenzonitrile

Work with 4-(Octyloxy)benzonitrile

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-carbonitrile41424-11-791 % similar 4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-491 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-591 % similar 4′-(Pentyloxy)-4-cyanobiphenyl52364-71-388 % similar 4-Butoxybenzonitrile5203-14-587 % similar 4′-Butoxy[1,1′-biphenyl]-4-carbonitrile52709-87-279 % similar 4′-Propoxy[1,1′-biphenyl]-4-carbonitrile52709-86-169 % similar 1-Ethynyl-4-(hexyloxy)benzene79887-17-567 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook