TL;DR: Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)- (CAS 107811-49-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethoxy-2-propan-2-yloxybenzaldehyde
Also Known As: 4-ethoxy-2-propan-2-yloxybenzaldehyde, (4-Ethoxy-2-(1-methylethoxy)phenyl)methanone, Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)-, 4-Ethoxy-2-[(propan-2-yl)oxy]benzaldehyde
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
| SMILES | CCOC1=CC(=C(C=C1)C=O)OC(C)C |
| InChIKey | BQTXUEGQKRETKL-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)-. With a topological polar surface area (TPSA) of 35.5 Ų, Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)- is 107811-49-4.
The molecular formula of Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)- is C12H16O3.
The molecular weight of Methanone, (4-ethoxy-2-(1-methylethoxy)phenyl)- is 208.10994 g/mol.
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