TL;DR: (4-Methoxyphenyl)(3-phenyloxiran-2-yl)methanone (CAS 130059-81-3) 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.
(4-methoxyphenyl)-(3-phenyloxiran-2-yl)methanone
Also Known As: 4'-Methoxychalcone oxide, (4-methoxyphenyl)(3-phenyloxiran-2-yl)methanone, 2-(4-methoxybenzoyl)-3-phenyloxirane, 4'-Methoxychalcone epoxide, trans-, 3-(4-Methoxybenzoyl)-2-phenyloxirane
| 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)C(=O)C2C(O2)C3=CC=CC=C3 |
| InChIKey | GAMOPGGZIQWBEM-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methoxyphenyl)(3-phenyloxiran-2-yl)methanone. With a topological polar surface area (TPSA) of 38.8 Ų, (4-Methoxyphenyl)(3-phenyloxiran-2-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methoxyphenyl)(3-phenyloxiran-2-yl)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 (4-Methoxyphenyl)(3-phenyloxiran-2-yl)methanone is 130059-81-3.
The molecular formula of (4-Methoxyphenyl)(3-phenyloxiran-2-yl)methanone is C16H14O3.
The molecular weight of (4-Methoxyphenyl)(3-phenyloxiran-2-yl)methanone is 254.0943 g/mol.
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