TL;DR: 2-Ethyl-1,3,4,5-tetramethoxybenzene (CAS 100520-99-8) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-1,3,4,5-tetramethoxybenzene
Also Known As: 2-ethyl-1,3,4,5-tetramethoxybenzene, 2-ethyl-1,3,4,5-tetramethoxy-benzene
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.12051 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.12051 Da |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
| SMILES | CCC1=C(C(=C(C=C1OC)OC)OC)OC |
| InChIKey | URRRIIWDSBTJDR-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,3,4,5-tetramethoxybenzene. With a topological polar surface area (TPSA) of 36.9 Ų, 2-Ethyl-1,3,4,5-tetramethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1,3,4,5-tetramethoxybenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Ethyl-1,3,4,5-tetramethoxybenzene is 100520-99-8.
The molecular formula of 2-Ethyl-1,3,4,5-tetramethoxybenzene is C12H18O4.
The molecular weight of 2-Ethyl-1,3,4,5-tetramethoxybenzene is 226.12051 g/mol.
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