Abstract: BACKGROUND ＆ AIM: The anticancer research in Phenol compound has been attached great importance in recent years. This kind of compound has a selective killing function on the cancer cells. Its anticancer activation is related to the degree that phenol oxidizes with kuinone. MATERIAL AND METHODS: This essay combines the method of Hückel molecule orbit expanded in the quantum chemistry with the method of distinguishing computer mode, studies of the quantitative structure-activity relationships (QSAR) of phenol and its derivatives and explores the parameter of the quantum chemistry characteristic of this kind of chemical compound, and gets the equation of Hansch by adopting the returning method. RESULTS: It analyzes the live part and the medicione size of effect. CONCLUSION: It shows the obvious difference of biololgical activation of strong power supply electric group led into by the neighbouring, opposite place and the separate place.

Key words: phenol compound, anticancer activity, QSAR, method of EHMO