TL;DR: 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)ethanone (CAS 139445-83-3) is a chemical compound with molecular formula C17H18O4 and molecular weight 286.1205 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
Also Known As: NCI60_005445, 2-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone, 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)ethanone, 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)-ethanone, 2-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)ethan-1-one
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H18O4 |
| Molecular Weight | 286.1205 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.1205 Da |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)CC2=C(C=CC(=C2)OC)OC |
| InChIKey | HYFOJZRRMCKZRE-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)ethanone 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 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)ethanone is 139445-83-3.
The molecular formula of 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)ethanone is C17H18O4.
The molecular weight of 2-(2,5-Dimethoxy-phenyl)-1-(4-methoxy-phenyl)ethanone is 286.1205 g/mol.
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