chempirical

4-N-Heptyloxybenzonitrile

C14H19NOCAS 29147-88-4217.31 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C14H19NO
Molar mass
217.31 g/mol
Exact mass
217.1467 Da
logP
3.91Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
29147-88-4
SMILES
CCCCCCCOC1=CC=C(C=C1)C#N
InChIKey
IVYYVHKDOAVYRW-UHFFFAOYSA-N
InChI
InChI=1S/C14H19NO/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10H,2-6,11H2,1H3

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Names and synonyms

1 names
  • 4-(Heptyloxy)benzonitrile

Work with 4-N-Heptyloxybenzonitrile

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-(Octyloxy)benzonitrile88374-55-4100 % similar 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

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

Same formula

3-Methyl-1-(2-phenylethyl)piperidin-4-one129164-39-2 1-Benzyl-3,3-dimethylpiperidin-4-one173186-91-9 Ethoxyquin91-53-2

Elsewhere

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