Properties | OH derivative | OCH3 derivative |
Molecular formula | C25H42O | C26H44O |
Molecular weight (amu) | 358.610 | 372.637 |
Area (Å2) | 379.24 | 402.64 |
Volume (Å3) | 410.00 | 430.90 |
Polar surface area (PSA) (Å2) | 18.841 | 6.274 |
Hydrogen bond donor (HBD) | 1 | 0 |
Hydrogen bond acceptor (HBA) | 1 | 1 |
Polarizability | 71.99 | 73.71 |
LogP | 3.20 | 3.42 |
HOMO (eV) | −6.53 | −6.18 |
LUMO (eV) | −4.76 | −4.34 |
BAND GAP (eV) | 1.77 | 1.84 |