TL;DR: Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)- (CAS 94897-81-1) is a chemical compound with molecular formula C12H4Cl6O2 and molecular weight 389.83426 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)phenol
Also Known As: 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)phenol, Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)-, J1.597.521K
| Molecular Formula | C12H4Cl6O2 |
| Molecular Weight | 389.83426 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.8313 Da |
| Heavy Atoms | 20 |
| Complexity | 321.0 |
| SMILES | C1=C(C=C(C(=C1Cl)OC2=CC(=C(C(=C2O)Cl)Cl)Cl)Cl)Cl |
| InChIKey | RBMKIFIAPAQBQV-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)- is 94897-81-1.
The molecular formula of Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)- is C12H4Cl6O2.
The molecular weight of Phenol, 2,3,4-trichloro-6-(2,4,6-trichlorophenoxy)- is 389.83426 g/mol.
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