2-(Chloromethyl)phenethyl acetate
TL;DR: 2-(Chloromethyl)phenethyl acetate (CAS 100126-78-1) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(chloromethyl)phenyl]ethyl acetate
Also Known As: 2-(chloromethyl)phenethyl acetate, 2-[2-(chloromethyl)phenyl]ethyl acetate, 2-(2-chloromethylphenyl)-ethanol acetate
Technical Specifications
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.06041 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.06041 Da |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
| SMILES | CC(=O)OCCC1=CC=CC=C1CCl |
| InChIKey | WUWXXNMIFWZJBH-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Chloromethyl)phenethyl acetate
Property Insights of 2-(Chloromethyl)phenethyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)phenethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Chloromethyl)phenethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)phenethyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Chloromethyl)phenethyl acetate?
The CAS number of 2-(Chloromethyl)phenethyl acetate is 100126-78-1.
What is the molecular formula of 2-(Chloromethyl)phenethyl acetate?
The molecular formula of 2-(Chloromethyl)phenethyl acetate is C11H13ClO2.
What is the molecular weight of 2-(Chloromethyl)phenethyl acetate?
The molecular weight of 2-(Chloromethyl)phenethyl acetate is 212.06041 g/mol.
Where can I buy 2-(Chloromethyl)phenethyl acetate?
You can request a quote for 2-(Chloromethyl)phenethyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Chloromethyl)phenethyl acetate?
Yes, CoreyChem provides custom synthesis services for 2-(Chloromethyl)phenethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.