chempirical

(2.2)Paracyclophane

C16H16CAS 1633-22-3208.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C16H16
Molar mass
208.30 g/mol
Exact mass
208.1252 Da
Melting point
285 °C
logP
3.57Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P272, P280, P302+P352, P319, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
1633-22-3
SMILES
c1cc2ccc1CCc1ccc(cc1)CC2
InChIKey
OOLUVSIJOMLOCB-UHFFFAOYSA-N
InChI
InChI=1S/C16H16/c1-2-14-4-3-13(1)9-10-15-5-7-16(8-6-15)12-11-14/h1-8H,9-12H2

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Names and synonyms

10 names
  • [2.2]Paracyclophane
  • Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene
  • Di-p-xylylene
  • Di-1,4-xylylene
  • [2.2]-p-Cyclophane
  • Cyclobis(benzene-1,4-dimethylene)
  • [2.2](1,4)Cyclophane
  • 1,4-Carbophane
  • NSC 91575
  • Parylene dimer

Reactions

Work with (2.2)Paracyclophane

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

Bibenzyl103-29-758 % similar 1,2-Bis(4-methylphenyl)ethane538-39-657 % similar 4,4′-Ethylenedianiline621-95-457 % similar 1,2-Bis(4-pyridyl)ethane4916-57-850 % similar P,P'-Divinyl-1,2-diphenylethane48174-52-347 % similar 1,4-Diethylbenzene105-05-543 % similar 1,4-Benzenedimethanethiol105-09-943 % similar 1,3-Diphenylpropane1081-75-043 % similar

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

Same formula

1-Methyl-3-phenylindane6416-39-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook