TL;DR: 4-(2-Oxo-2-phenylethoxy)benzaldehyde (CAS 139484-40-5) is a chemical compound with molecular formula C15H12O3 and molecular weight 240.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenacyloxybenzaldehyde
Also Known As: 4-(2-oxo-2-phenylethoxy)benzaldehyde, 4-phenacyloxybenzaldehyde, 4-(Phenacyloxy)benzaldehyde, Benzaldehyde, 4-(2-oxo-2-phenylethoxy)-, Benzaldehyde,4-(2-oxo-2-phenylethoxy)-
| Molecular Formula | C15H12O3 |
| Molecular Weight | 240.07864 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.07864 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C=O |
| InChIKey | DUFOKNRIMNOESJ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Oxo-2-phenylethoxy)benzaldehyde. With a topological polar surface area (TPSA) of 43.4 Ų, 4-(2-Oxo-2-phenylethoxy)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Oxo-2-phenylethoxy)benzaldehyde 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 4-(2-Oxo-2-phenylethoxy)benzaldehyde is 139484-40-5.
The molecular formula of 4-(2-Oxo-2-phenylethoxy)benzaldehyde is C15H12O3.
The molecular weight of 4-(2-Oxo-2-phenylethoxy)benzaldehyde is 240.07864 g/mol.
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