TL;DR: (2E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one (CAS 126267-46-7) is a chemical compound with molecular formula C17H14Cl2O4 and molecular weight 352.02692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Also Known As: (2E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one, (E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one, VU0510067-1, 3',5'-Dichlor-2'-hydroxy-3,4-dimethoxy-trans-chalkon, F3139-0557
| Molecular Formula | C17H14Cl2O4 |
| Molecular Weight | 352.02692 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.02692 Da |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=CC(=C2)Cl)Cl)O)OC |
| InChIKey | VPEIPANLZQDSPF-HWKANZROSA-N |
The XLogP value of 5.1 indicates that (2E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, (2E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one is 126267-46-7.
The molecular formula of (2E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one is C17H14Cl2O4.
The molecular weight of (2E)-1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one is 352.02692 g/mol.
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