4-Isopropylbenzyl chloride
TL;DR: 4-Isopropylbenzyl chloride (CAS 2051-18-5) 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-(chloromethyl)-4-propan-2-ylbenzene
Also Known As: 4-Isopropylbenzyl chloride, 1-(chloromethyl)-4-isopropylbenzene, 7-Chloro-p-cymene, p-Cymene, 7-chloro-, p-Isopropylbenzyl chloride
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13Cl |
| Molecular Weight | 168.07057 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07057 Da |
| Heavy Atoms | 11 |
| Complexity | 101.0 |
| SMILES | CC(C)C1=CC=C(C=C1)CCl |
| InChIKey | CYAKWEQUWJAHLW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Isopropylbenzyl chloride
Property Insights of 4-Isopropylbenzyl chloride
The XLogP value of 4.1 indicates that 4-Isopropylbenzyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Isopropylbenzyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylbenzyl chloride 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 4-Isopropylbenzyl chloride?
The CAS number of 4-Isopropylbenzyl chloride is 2051-18-5.
What is the molecular formula of 4-Isopropylbenzyl chloride?
The molecular formula of 4-Isopropylbenzyl chloride is C10H13Cl.
What is the molecular weight of 4-Isopropylbenzyl chloride?
The molecular weight of 4-Isopropylbenzyl chloride is 168.07057 g/mol.
Where can I buy 4-Isopropylbenzyl chloride?
You can request a quote for 4-Isopropylbenzyl chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isopropylbenzyl chloride?
Yes, CoreyChem provides custom synthesis services for 4-Isopropylbenzyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.