In this paper, efforts are made to analyse the impact of ‘Al’ doping on the structural, optical, and electrical performance of BP compound using the first principles approach. The computations are accomplished using one of the most accurate full-potential linearized augmented plane wave methods (FP-LAPW) within density functional theory (DFT). The investigations for optoelectronic calculations are carried out using Wien2k code using Perdew-Burke-Ernzerhof (PBE-GGA) exchange correlation functional. The result recorded reflects that, structural and optical properties of the BP compound are dramatically changed through partial ‘Al’ doping. The band structure (BS) and density of states (DOS) are examined for B0.935Al0.065P compound, and according to our findings, this exhibits a direct band gap nature and value is 1.06 eV. To understand optical behaviour, we have evaluated variables such as the dielectric function ε(ω), absorption α(ω), reflectivity R(ω), and refraction η(ω) spectra and have presented the analysis.