TL;DR: (E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one (CAS 136678-38-1) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Also Known As: 3 ,4 -Dimethoxy-2-hydroxychalcone, J1.379.782J, (E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one, 1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one, (2E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
| Molecular Formula | C17H16O4 |
| Molecular Weight | 284.10486 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.10486 Da |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
| SMILES | COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O)OC |
| InChIKey | HRNFCBLCRKYODN-VQHVLOKHSA-N |
The XLogP value of 3.3 indicates that (E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)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, (E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one has 1 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 (E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one is 136678-38-1.
The molecular formula of (E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one is C17H16O4.
The molecular weight of (E)-1-(3,4-dimethoxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one is 284.10486 g/mol.
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