1-Methyl-1-phenylpropyl acetate
TL;DR: 1-Methyl-1-phenylpropyl acetate (CAS 10042-36-1) 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.
2-phenylbutan-2-yl acetate
Also Known As: 2-phenylbutan-2-yl Acetate, 2-Acetoxy-2-phenylbutane, 1-METHYL-1-PHENYLPROPYL ACETATE, acetic acid-(1-methyl-1-phenyl-propyl ester), Acetic acid 1-methyl-1-phenylpropyl ester
Technical Specifications
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.11504 g/mol |
| XLogP | 2.7 |
| 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 | 194.0 |
| SMILES | CCC(C)(C1=CC=CC=C1)OC(=O)C |
| InChIKey | WNOLPMNYGYFRHP-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-1-phenylpropyl acetate
Property Insights of 1-Methyl-1-phenylpropyl acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-phenylpropyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methyl-1-phenylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-phenylpropyl 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 1-Methyl-1-phenylpropyl acetate?
The CAS number of 1-Methyl-1-phenylpropyl acetate is 10042-36-1.
What is the molecular formula of 1-Methyl-1-phenylpropyl acetate?
The molecular formula of 1-Methyl-1-phenylpropyl acetate is C12H16O2.
What is the molecular weight of 1-Methyl-1-phenylpropyl acetate?
The molecular weight of 1-Methyl-1-phenylpropyl acetate is 192.11504 g/mol.
Where can I buy 1-Methyl-1-phenylpropyl acetate?
You can request a quote for 1-Methyl-1-phenylpropyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-1-phenylpropyl acetate?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-1-phenylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.