TL;DR: 4,4'-((1E)-1,2-Dimethyl-1,2-ethenediyl)bis(phenol) (CAS 13366-36-4) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-3-(4-hydroxyphenyl)but-2-en-2-yl]phenol
Also Known As: DIMETHYLSTILBESTROL, Dimethylstilboestrol, dimethylstibestrol, Dimethylstilbesterol, .alpha.,4'-stilbenediol
| Molecular Formula | C16H16O2 |
| Molecular Weight | 240.11504 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.11504 Da |
| Heavy Atoms | 18 |
| Complexity | 262.0 |
| SMILES | C/C(=C(/C)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O |
| InChIKey | XPINIPXARSNZDM-VAWYXSNFSA-N |
The XLogP value of 4.7 indicates that 4,4'-((1E)-1,2-Dimethyl-1,2-ethenediyl)bis(phenol) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4,4'-((1E)-1,2-Dimethyl-1,2-ethenediyl)bis(phenol) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-((1E)-1,2-Dimethyl-1,2-ethenediyl)bis(phenol) has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,4'-((1E)-1,2-Dimethyl-1,2-ethenediyl)bis(phenol) is 13366-36-4.
The molecular formula of 4,4'-((1E)-1,2-Dimethyl-1,2-ethenediyl)bis(phenol) is C16H16O2.
The molecular weight of 4,4'-((1E)-1,2-Dimethyl-1,2-ethenediyl)bis(phenol) is 240.11504 g/mol.
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