TL;DR: [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone (CAS 106710-55-8) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
Also Known As: 4-Methoxychalcone oxide, [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone, KST-1A0471, 2-Benzoyl-3-(4-methoxyphenyl)oxirane, BAS 01357485
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H14O3 |
| Molecular Weight | 254.0943 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0943 Da |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
| SMILES | COC1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3 |
| InChIKey | OJNVQVXKXBOSSW-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone. With a topological polar surface area (TPSA) of 38.8 Ų, [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone 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 [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone is 106710-55-8.
The molecular formula of [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone is C16H14O3.
The molecular weight of [3-(4-Methoxy-phenyl)-oxiranyl]-phenyl-methanone is 254.0943 g/mol.
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