Tert-butyl 2-phenylacetate
TL;DR: Tert-butyl 2-phenylacetate (CAS 16537-09-0) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-phenylacetate
Also Known As: tert-butyl 2-phenylacetate, tert-Butyl phenylacetate, tert-Butyl benzeneacetate, t-butyl phenylacetate, t-butyl phenyl acetate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 Da |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
| SMILES | CC(C)(C)OC(=O)CC1=CC=CC=C1 |
| InChIKey | QROFQHQXTMKORN-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 2-phenylacetate
Property Insights of Tert-butyl 2-phenylacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-phenylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl 2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-phenylacetate 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 Tert-butyl 2-phenylacetate?
The CAS number of Tert-butyl 2-phenylacetate is 16537-09-0.
What is the molecular formula of Tert-butyl 2-phenylacetate?
The molecular formula of Tert-butyl 2-phenylacetate is C12H16O2.
What is the molecular weight of Tert-butyl 2-phenylacetate?
The molecular weight of Tert-butyl 2-phenylacetate is 192.11504 g/mol.
Where can I buy Tert-butyl 2-phenylacetate?
You can request a quote for Tert-butyl 2-phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 2-phenylacetate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.