1-Chloro-2-isopropyl-4-methylbenzene
TL;DR: 1-Chloro-2-isopropyl-4-methylbenzene (CAS 15146-00-6) is a chemical compound with molecular formula C10H13Cl and molecular weight 168.07057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-4-methyl-2-propan-2-ylbenzene
Also Known As: 1-Chloro-2-isopropyl-4-methylbenzene, 1-chloro-4-methyl-2-propan-2-ylbenzene, 1-Chloro-4-methyl-2-(propan-2-yl)benzene
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13Cl |
| Molecular Weight | 168.07057 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.07057 Da |
| Heavy Atoms | 11 |
| Complexity | 120.0 |
| SMILES | CC1=CC(=C(C=C1)Cl)C(C)C |
| InChIKey | ZYHNYYRQDNMFBW-UHFFFAOYSA-N |
Chemical Property Profile of 1-Chloro-2-isopropyl-4-methylbenzene
Property Insights of 1-Chloro-2-isopropyl-4-methylbenzene
The XLogP value of 4.0 indicates that 1-Chloro-2-isopropyl-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Chloro-2-isopropyl-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-isopropyl-4-methylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Chloro-2-isopropyl-4-methylbenzene?
The CAS number of 1-Chloro-2-isopropyl-4-methylbenzene is 15146-00-6.
What is the molecular formula of 1-Chloro-2-isopropyl-4-methylbenzene?
The molecular formula of 1-Chloro-2-isopropyl-4-methylbenzene is C10H13Cl.
What is the molecular weight of 1-Chloro-2-isopropyl-4-methylbenzene?
The molecular weight of 1-Chloro-2-isopropyl-4-methylbenzene is 168.07057 g/mol.
Where can I buy 1-Chloro-2-isopropyl-4-methylbenzene?
You can request a quote for 1-Chloro-2-isopropyl-4-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Chloro-2-isopropyl-4-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Chloro-2-isopropyl-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.