TL;DR: Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]- (CAS 111394-44-6) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.09976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol
Also Known As: Combretastatin A-2, 2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]phenol, Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-, 3,4-(Methylenedioxy)-5-methoxy-3'-hydroxy-4'-methoxystilbene, Phenol,2-methoxy-5-[(1Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.09976 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09976 Da |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
| SMILES | COC1=C(C=C(C=C1)C=CC2=CC3=C(C(=C2)OC)OCO3)O |
| InChIKey | YTVCXBVFGQEBAL-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]- is 111394-44-6.
The molecular formula of Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]- is C17H16O5.
The molecular weight of Phenol, 2-methoxy-5-[(1E)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]- is 300.09976 g/mol.
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