TL;DR: 3-[3-Chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid (CAS 1025569-67-8) is a chemical compound with molecular formula C16H12Cl2O3 and molecular weight 322.01636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
Also Known As: 3-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic Acid, 3-[3-Chloro-4-(2-chloro-benzyloxy)-phenyl]-acrylic acid
| Molecular Formula | C16H12Cl2O3 |
| Molecular Weight | 322.01636 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.01636 Da |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
| SMILES | C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=CC(=O)O)Cl)Cl |
| InChIKey | ZICITGUCTNQIAU-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 3-[3-Chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-[3-Chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-Chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[3-Chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid is 1025569-67-8.
The molecular formula of 3-[3-Chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid is C16H12Cl2O3.
The molecular weight of 3-[3-Chloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoic acid is 322.01636 g/mol.
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