The study investigates the chemical composition and biological activities of the essential oil (CAEO) derived from the aerial parts of Cistus albidus (grey-leaved rockrose). GC-MS analysis revealed that camphene (39.21%), α-pinene (19.01%), bornyl acetate (18.32%), tricyclene (6.86%), and melonal (5.44%) were the major compounds. CAEO exhibited strong antioxidant activity, with low IC50 values in DPPH (153.92 ± 4.30 μg/mL) and β-carotene (95.25 ± 3.75 μg/mL) assays. It also showed significant anti-inflammatory activity, inhibiting 5-lipoxygenase at 0.5 mg/mL. CAEO demonstrated broad-spectrum antimicrobial effects against various bacterial and fungal strains, though resistance was observed in some cases. In vitro studies revealed dose-dependent cytotoxic effects on breast cancer cell lines MCF-7 and MDA-MB-231. In silico analyses indicated that CAEO's compounds have favorable physicochemical properties, drug-likeness, and pharmacokinetic profiles, with high bioavailability scores. Toxicological assessments suggested minimal toxicity, with no significant carcinogenicity concerns. Molecular docking studies revealed that CAEO compounds, particularly bornyl acetate, interact with key enzymes such as glutathione reductase, dihydrofolate reductase, CYP51, and 5-LOX, suggesting potential mechanisms for their biological activities. The study highlights CAEO's potential as a natural source of antioxidants, anti-inflammatory agents, antimicrobial compounds, and anticancer agents, with promising applications in pharmaceutical and therapeutic contexts.The study investigates the chemical composition and biological activities of the essential oil (CAEO) derived from the aerial parts of Cistus albidus (grey-leaved rockrose). GC-MS analysis revealed that camphene (39.21%), α-pinene (19.01%), bornyl acetate (18.32%), tricyclene (6.86%), and melonal (5.44%) were the major compounds. CAEO exhibited strong antioxidant activity, with low IC50 values in DPPH (153.92 ± 4.30 μg/mL) and β-carotene (95.25 ± 3.75 μg/mL) assays. It also showed significant anti-inflammatory activity, inhibiting 5-lipoxygenase at 0.5 mg/mL. CAEO demonstrated broad-spectrum antimicrobial effects against various bacterial and fungal strains, though resistance was observed in some cases. In vitro studies revealed dose-dependent cytotoxic effects on breast cancer cell lines MCF-7 and MDA-MB-231. In silico analyses indicated that CAEO's compounds have favorable physicochemical properties, drug-likeness, and pharmacokinetic profiles, with high bioavailability scores. Toxicological assessments suggested minimal toxicity, with no significant carcinogenicity concerns. Molecular docking studies revealed that CAEO compounds, particularly bornyl acetate, interact with key enzymes such as glutathione reductase, dihydrofolate reductase, CYP51, and 5-LOX, suggesting potential mechanisms for their biological activities. The study highlights CAEO's potential as a natural source of antioxidants, anti-inflammatory agents, antimicrobial compounds, and anticancer agents, with promising applications in pharmaceutical and therapeutic contexts.