This study aimed to assess the impact of certain climatic factors and soil elements on principal phenolic compounds in Salvia multicaulis (S. multicaulis). For this purpose, the association between the environmental factors and phenolic compounds in the samples was analysed consecutively using the hybrid redundancy analysis (hRDA), correlation, and path analyses. Based on hRDA, the climatic factors were the major environmental factors influencing total phenolics (YTPₕₑₙ) and total flavonoids (YTFₗₐᵥ) contents, but phenolic acids were affected by both climatic factors and the soil elements. In path analysis, the average April–May daily minimum temperature (XAₚ₋MₐMᵢₙT) negatively affected YTPₕₑₙ (path coefficient of −0.524). The average April–May daily relative humidity (XAₚ₋MₐRH) was the key climatic factor promoting (0.609) YTFₗₐᵥ. April–May cumulative precipitation (XAₚ₋MₐPᵣ) and the soil sodium content (XNₐ) were the determinant factors negatively affecting (−0.405 and −0.388, respectively) rosmarinic acid content (YRₒₛA). XAₚ₋MₐRH and the soil pH (XₚH) were the most effective factors influencing (0.465 and −0.498, respectively) caffeic acid content (YCₐfA). The soil magnesium (XMg) was the only environmental factor reducing (−0.483) the chlorogenic acid content (YCₕₗA). These findings could aid sit specific exploration of the plants with a high yield of specific phytochemicals demanded by the food and pharmaceutical industries.