TL;DR: Methanone, 4-ethoxy-5-methoxy-2-(1-methylethoxy)- (CAS 107811-50-7) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethoxy-5-methoxy-2-propan-2-yloxybenzaldehyde
Also Known As: Methanone, 4-ethoxy-5-methoxy-2-(1-methylethoxy)-, 4-Ethoxy-5-methoxy-2-(1-methylethoxy)methanone, 4-ethoxy-5-methoxy-2-propan-2-yloxybenzaldehyde, 4-Ethoxy-5-methoxy-2-[(propan-2-yl)oxy]benzaldehyde
| Molecular Formula | C13H18O4 |
| Molecular Weight | 238.12051 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.12051 Da |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
| SMILES | CCOC1=C(C=C(C(=C1)OC(C)C)C=O)OC |
| InChIKey | HTEKCLZUFIFXLQ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, 4-ethoxy-5-methoxy-2-(1-methylethoxy)-. With a topological polar surface area (TPSA) of 44.8 Ų, Methanone, 4-ethoxy-5-methoxy-2-(1-methylethoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, 4-ethoxy-5-methoxy-2-(1-methylethoxy)- 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 Methanone, 4-ethoxy-5-methoxy-2-(1-methylethoxy)- is 107811-50-7.
The molecular formula of Methanone, 4-ethoxy-5-methoxy-2-(1-methylethoxy)- is C13H18O4.
The molecular weight of Methanone, 4-ethoxy-5-methoxy-2-(1-methylethoxy)- is 238.12051 g/mol.
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