TL;DR: InChI=1/C8H9ClO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,1-2H (CAS 146335-36-6) is a chemical compound with molecular formula C8H9ClO and molecular weight 156.0342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2,3-dimethylphenol
Also Known As: 5-chloro-2,3-dimethylphenol, 5-chloro-2,3-dimethyl-phenol
| Molecular Formula | C8H9ClO |
| Molecular Weight | 156.0342 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.0342 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| SMILES | CC1=CC(=CC(=C1C)O)Cl |
| InChIKey | OLWZDHUWWOQLGO-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for InChI=1/C8H9ClO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,1-2H. With a topological polar surface area (TPSA) of 20.2 Ų, InChI=1/C8H9ClO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,1-2H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, InChI=1/C8H9ClO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,1-2H has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of InChI=1/C8H9ClO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,1-2H is 146335-36-6.
The molecular formula of InChI=1/C8H9ClO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,1-2H is C8H9ClO.
The molecular weight of InChI=1/C8H9ClO/c1-5-3-7(9)4-8(10)6(5)2/h3-4,10H,1-2H is 156.0342 g/mol.
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