TL;DR: 1-(2,5-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CAS 1600502-76-8) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14163 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: 1-(2,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, (2E)-1-(2,5-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C20H22O6 |
| Molecular Weight | 358.14163 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.14163 Da |
| Heavy Atoms | 26 |
| Complexity | 451.0 |
| SMILES | COC1=CC(=C(C=C1)OC)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC |
| InChIKey | RQSXVMSFJWLNRG-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 1-(2,5-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 1-(2,5-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,5-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is 1600502-76-8.
The molecular formula of 1-(2,5-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is C20H22O6.
The molecular weight of 1-(2,5-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is 358.14163 g/mol.
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