TL;DR: Benzaldehyde, 2,6-difluoro-4-hydroxy-3-methoxy- (CAS 152434-97-4) is a chemical compound with molecular formula C8H6F2O3 and molecular weight 188.0285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-difluoro-4-hydroxy-3-methoxybenzaldehyde
Also Known As: 2,6-Difluoro-4-hydroxy-3-methoxybenzaldehyde, 2,6-Difluoro-4-hydroxy-3-methoxybenzaldehyde #, Benzaldehyde, 2,6-difluoro-4-hydroxy-3-methoxy-
| Molecular Formula | C8H6F2O3 |
| Molecular Weight | 188.0285 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.0285 Da |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
| SMILES | COC1=C(C(=C(C=C1O)F)C=O)F |
| InChIKey | XCGGYDMDMRNJKQ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzaldehyde, 2,6-difluoro-4-hydroxy-3-methoxy-. With a topological polar surface area (TPSA) of 46.5 Ų, Benzaldehyde, 2,6-difluoro-4-hydroxy-3-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzaldehyde, 2,6-difluoro-4-hydroxy-3-methoxy- 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 Benzaldehyde, 2,6-difluoro-4-hydroxy-3-methoxy- is 152434-97-4.
The molecular formula of Benzaldehyde, 2,6-difluoro-4-hydroxy-3-methoxy- is C8H6F2O3.
The molecular weight of Benzaldehyde, 2,6-difluoro-4-hydroxy-3-methoxy- is 188.0285 g/mol.
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