This work was aimed to study the influence of the groove structure of mineral water bottle on the axial compression and lateral compression performance of the bottle. The common market mineral water bottle was selected as the research object, the test specimens and equipment models with different groove numbers, different groove heights and different groove depths were separately modeled in Ansys, and the processes of axial and lateral compression under given loads were simulated and analyzed via finite element explicit algorithm. The result from actual test was compared with that from the finite element simulation. The axis compression properties of the bottle decreased with the increase of the number, height and depth of the grooves. But the lateral compression properties of the bottle increased with the increase of the number, height of the grooves, and decreased with the increase of the depth of the grooves. When we design the groove structure for the bottle, we should reduce the number and depth of the groove as far as possible, and we can design the height relatively more flexibly. In brief, we should consider the needs of lateral compression properties to meet the strength for consumer′ s need of grasping, and also should consider the axial compression performance to meet the requirement of the national standard in order to reduce the influence on the stacking performance of the bottle.