TL;DR: o-Cresol, alpha,alpha'-(4,6-dimethyl-m-phenylene)-bis(4-chloro- (CAS 63989-81-1) is a chemical compound with molecular formula C22H20Cl2O2 and molecular weight 386.08405 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-[[5-[(5-chloro-2-hydroxyphenyl)methyl]-2,4-dimethylphenyl]methyl]phenol
Also Known As: 4-06-00-06992 (Beilstein Handbook Reference), o-CRESOL, alpha,alpha'-(4,6-DIMETHYL-m-PHENYLENE)-BIS(4-CHLORO-, alpha,alpha'-(4,6-Dimethyl-m-phenylene)-bis(4-chloro-o-cresol), 2,2 -(4,6-Dimethyl-1,3-phenylenedimethylene)bis(4-chlorophenol), 2,2'-(4,6-Dimethyl-1,3-phenylenedimethylene)bis(4-chlorophenol)
| Molecular Formula | C22H20Cl2O2 |
| Molecular Weight | 386.08405 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.08405 Da |
| Heavy Atoms | 26 |
| Complexity | 408.0 |
| SMILES | CC1=CC(=C(C=C1CC2=C(C=CC(=C2)Cl)O)CC3=C(C=CC(=C3)Cl)O)C |
| InChIKey | YSJLJKTZENIOHB-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that o-Cresol, alpha,alpha'-(4,6-dimethyl-m-phenylene)-bis(4-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, o-Cresol, alpha,alpha'-(4,6-dimethyl-m-phenylene)-bis(4-chloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Cresol, alpha,alpha'-(4,6-dimethyl-m-phenylene)-bis(4-chloro- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of o-Cresol, alpha,alpha'-(4,6-dimethyl-m-phenylene)-bis(4-chloro- is 63989-81-1.
The molecular formula of o-Cresol, alpha,alpha'-(4,6-dimethyl-m-phenylene)-bis(4-chloro- is C22H20Cl2O2.
The molecular weight of o-Cresol, alpha,alpha'-(4,6-dimethyl-m-phenylene)-bis(4-chloro- is 386.08405 g/mol.
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