A resorcin[4]arene hexameric capsule as a supramolecular catalyst in elimination and isomerization reactions

Tommaso Lorenzetto, Fabrizio Fabris and Alessandro Scarso
Beilstein J. Org. Chem. 2022, 18, 337–349. https://doi.org/10.3762/bjoc.18.38

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C14H14O
Molecular Weight 198.26 g/mol
Exact Mass 198.1045 Da
InChI
InChI=1S/C14H14O/c1-14(15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3
InChIKey
GIMDPFBLSKQRNP-UHFFFAOYSA-N
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
Number of Atoms 29
Number of H-Bond Acceptors 1
Number of H-Bond Donors 1
Atoms in the Largest π-System 6
XLogP 2.1
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