(3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate
TL;DR: (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate (CAS 112473-64-0) is a chemical compound with molecular formula C20H24O3 and molecular weight 312.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-phenoxyphenyl)methyl 2,3,3-trimethylbutanoate
Also Known As: (3-phenoxyphenyl)methyl 2,3,3-trimethylbutanoate, Butanoic acid, 2,3,3-trimethyl-, (3-phenoxyphenyl)methyl ester
Technical Specifications
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.17255 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.17255 Da |
| Heavy Atoms | 23 |
| Complexity | 366.0 |
| SMILES | CC(C(=O)OCC1=CC(=CC=C1)OC2=CC=CC=C2)C(C)(C)C |
| InChIKey | CFMGZRZJMMHXEX-UHFFFAOYSA-N |
Chemical Property Profile of (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate
Property Insights of (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate
The XLogP value of 5.8 indicates that (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate 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 (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate?
The CAS number of (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate is 112473-64-0.
What is the molecular formula of (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate is C20H24O3.
What is the molecular weight of (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate is 312.17255 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate?
Yes, CoreyChem provides custom synthesis services for (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.