In this study, the role of active layer thickness, hole transport layer thickness, and electron mobility on the performance of P3HT: PCBM-based inverted organic solar cells has been investigated. The simulation has been done for device structure ITO/ZnO/P3HT: PCBM/MoO3/Ag using the general-purpose photovoltaic device model (GPVDM) program tool. The short circuit current density (Jsc), open circuit voltage (Voc), fill factor (FF), and power conversion efficiency (PCE) of the cell were determined by varying the thickness of the active layer from 140 nm to 260 nm, the hole transparent layer from 10 nm to 40 nm, and electron mobility from 0.5 × 10−3 cm2V−1s−1 to 6.5 × 10−3 cm2V−1s−1. The PCE improvement was observed at 220 nm and 20 nm active layer and hole transporting layer thickness, respectively, for 4.5 × 10−3 cm2V−1s−1 electron mobility. The results confirmed that the thickness of the active layer, hole transport layer, and charge carrier mobility plays an important role in the performance improvement of organic solar cells.