1-Ethynyl-4-(hexyloxy)benzene

C14H18OCAS 79887-17-5202.30 g/mol

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O
AlkyneEther

Properties

Molecular formula
C14H18O
Molar mass
202.30 g/mol
Exact mass
202.1358 Da
logP
3.63Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

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

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Identifiers

CAS number
79887-17-5
SMILES
C#Cc1ccc(OCCCCCC)cc1
InChIKey
KBIJVGKRGIADQH-UHFFFAOYSA-N
InChI
InChI=1S/C14H18O/c1-3-5-6-7-12-15-14-10-8-13(4-2)9-11-14/h2,8-11H,3,5-7,12H2,1H3

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Names and synonyms

4 names
  • Benzene, 1-ethynyl-4-(hexyloxy)-
  • 4-(Hexyloxy)phenylacetylene
  • 1-Ethynyl-4-hexyloxybenzene
  • 1-Eth-1-ynyl-4-(hexyloxy)benzene

Work with 1-Ethynyl-4-(hexyloxy)benzene

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

1-Eth-1-ynyl-4-(pentyloxy)benzene79887-16-497 % similar 4-N-Heptyloxybenzonitrile29147-88-467 % similar 4-(Octyloxy)benzonitrile88374-55-467 % similar 4-Ethoxyphenylacetylene79887-14-264 % similar 4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-762 % similar 4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-462 % similar 4′-(Octyloxy)-4-cyanobiphenyl52364-73-562 % similar 1-Eth-1-ynyl-4-hexylbenzene79887-11-960 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Amylcinnamaldehyde122-40-7 1-(4-Cyclohexylphenyl)ethanone18594-05-3

Elsewhere

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