Tumor cells evade immune surveillance and promote their growth by modulating immune checkpoint molecules (ICMs). Various breast cancer subtypes have demonstrated the involvement of these molecules, promoting the investigation of natural compounds for immunomodulatory potential. 2-Isopropyl-5-methylphenol, a bioactive monoterpenoid found in several plant species, was evaluated for its impact on breast cancer immunomodulation. Computational and in-vitro studies were conducted to evaluate 2-Isopropyl-5-methylphenol's immunomodulatory potential. Molecular docking of ICMs (CTLA-4, PD-1, and PD-L1) with 2-Isopropyl-5-methylphenol was performed using AutoDock Vina. Additional tools utilized were BIOVIA Discovery Studio 2021, PyMOL, and LigPlot