A new Cu(II) based coordination polymer (CP) [Cu3(ipa)3(4-clpy)(H2O)2][Cu(ipa)(4-clpy)2(CH3OH)]·3CH3OH (1); (H2ipa = isophthalic acid or benzene-1,3-dicarboxylic acid and 4-clpy = 4-chloropyridine) has been synthesized by slow diffusion method in a single pot technique. Single crystal X-ray analysis reveals that compound 1 consists of both one-dimensional (1D) zig-zag chain and two-dimensional (2D) paddle-wheel net, resulting the formation of a three-dimensional (3D) supramolecular architecture via extensive hydrogen bonding, π⋯π stacking and halogen⋯π interactions. The strength of non-covalent interactions in compound 1 has been investigated by Hirshfeld surface analysis. The semiconducting nature of compound 1 was also explored by HOMO-LUMO band-gap calculation using density functional theory (DFT) computation.