TL;DR: 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol (CAS 116519-00-7) 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.
4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
Also Known As: (E)-4-(3,4,5-Trimethoxystyryl)phenol, 4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol, 4'-Hydroxy-3,4,5-trimethoxystilbene, NCI60_010237, 4-[2-(3,4,5-trimethoxyphenyl)vinyl]phenol
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H18O4 |
| Molecular Weight | 286.1205 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.1205 Da |
| Heavy Atoms | 21 |
| Complexity | 309.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)O |
| InChIKey | PGNACKMMQGBVTN-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol 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 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol is 116519-00-7.
The molecular formula of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol is C17H18O4.
The molecular weight of 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol is 286.1205 g/mol.
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