Is There Life After Octanol

The question posed by the title of this section may at first be answered with a no and thus yield the undoubtedly shortest section of the present, and possibly any, chapter while saving the authors, as well as the readers, time and effort. 

Nevertheless, and even though we have stated above that by far the most used and modeled system is in fact represented by the octanol-water pair of solvents, the question deserves some clarification and discussion. 

One of the likely reasons octanol-water gained such a widespread use is its amphiprotic character, i.e. its abiUty to serve as an H-bond donor and acceptor while, for example, alkane-water systems are inert in that sense, from the point 

The difficulties and low-throughput nature of the experimental dual determination, especially in alkane-water systems, the development of other techniques more amenable to automation, as well as more refined computational approaches for octanol-water systems, aU have contributed to Umit the use of the alkane-water system as a second bulk-phase system. However, efforts have been devoted to the development of log (alkane) computational prediction methods by Rekker et al. [13] as well as Caron and Ermondi [14]. 

At any rate, due to its wide popularity and the vast availability of literature and in-house data, whether computed or experimentally determined, octanol-water partition or distribution data remain by far the most utilized single parameter for ADME, QSPR and QSAR predictions. 

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