Keywords: 
• phenolic compounds /
• octanol/water partition coefficient (logK_ow) /
• structural descriptor /
• structure and properties

Abstract: The different non-hydrogen atoms and the relationship between them were used as new structural descriptors to describe the molecular structures of some phenolic compounds. The stepwise regression (SMR) combining the multiple linear regression (MLR) methods were used to construct a model of relationship between the structures and octanol/water partition coefficients (logK_ow) of the compounds. The modeling correlation coefficient (r) was 0.988 and the standard deviation (SD) was 0.121; "leave one out" cross validation correlation coefficient (Q²) was 0.966 and the standard deviation (SDCV) was 0.148, respectively. The results showed that the structural descriptors could well characterize the molecular structures of the compounds, the stability of the model was good, and the predictive power was strong. This paper shows a certain reference value for QSPR study of phenolic compounds.