Octyl 2-(4-chloro-2-methylphenoxy)propanoate
TL;DR: Octyl 2-(4-chloro-2-methylphenoxy)propanoate (CAS 161922-37-8) is a chemical compound with molecular formula C18H27ClO3 and molecular weight 326.1649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl 2-(4-chloro-2-methylphenoxy)propanoate
Also Known As: Mecoprop-1-octyl ester, octyl 2-(4-chloro-2-methylphenoxy)propanoate, Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate
Technical Specifications
| Molecular Formula | C18H27ClO3 |
| Molecular Weight | 326.1649 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.1649 Da |
| Heavy Atoms | 22 |
| Complexity | 309.0 |
| SMILES | CCCCCCCCOC(=O)C(C)OC1=C(C=C(C=C1)Cl)C |
| InChIKey | QWQMRXFSCXUHMR-UHFFFAOYSA-N |
Chemical Property Profile of Octyl 2-(4-chloro-2-methylphenoxy)propanoate
Property Insights of Octyl 2-(4-chloro-2-methylphenoxy)propanoate
The XLogP value of 6.9 indicates that Octyl 2-(4-chloro-2-methylphenoxy)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Octyl 2-(4-chloro-2-methylphenoxy)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-(4-chloro-2-methylphenoxy)propanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Octyl 2-(4-chloro-2-methylphenoxy)propanoate?
The CAS number of Octyl 2-(4-chloro-2-methylphenoxy)propanoate is 161922-37-8.
What is the molecular formula of Octyl 2-(4-chloro-2-methylphenoxy)propanoate?
The molecular formula of Octyl 2-(4-chloro-2-methylphenoxy)propanoate is C18H27ClO3.
What is the molecular weight of Octyl 2-(4-chloro-2-methylphenoxy)propanoate?
The molecular weight of Octyl 2-(4-chloro-2-methylphenoxy)propanoate is 326.1649 g/mol.
Where can I buy Octyl 2-(4-chloro-2-methylphenoxy)propanoate?
You can request a quote for Octyl 2-(4-chloro-2-methylphenoxy)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl 2-(4-chloro-2-methylphenoxy)propanoate?
Yes, CoreyChem provides custom synthesis services for Octyl 2-(4-chloro-2-methylphenoxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.