TL;DR: Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)- (CAS 81686-44-4) is a chemical compound with molecular formula C10H12Cl2 and molecular weight 202.0316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dichloro-1-methyl-4-propan-2-ylbenzene
Also Known As: Dichloro-p-Cymen, p-Cymene, dichloro-, 2,3-Dichloro-p-cymene, Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)-, 2,3-dichloro-1-methyl-4-propan-2-ylbenzene
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H12Cl2 |
| Molecular Weight | 202.0316 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 202.0316 Da |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
| SMILES | CC1=C(C(=C(C=C1)C(C)C)Cl)Cl |
| InChIKey | JIWVHJAIMWCERM-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)- is 81686-44-4.
The molecular formula of Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)- is C10H12Cl2.
The molecular weight of Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)- is 202.0316 g/mol.
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