3-tert-Butyl-5-methylanisole
TL;DR: 3-tert-Butyl-5-methylanisole (CAS 52328-49-1) is a chemical compound with molecular formula C12H18O and molecular weight 178.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-3-methoxy-5-methylbenzene
Also Known As: 3-tert-Butyl-5-methylanisole, 1-tert-butyl-3-methoxy-5-methylbenzene, 3-Methyl-5-tert. Butylanisol, 1-(1,1-Dimethylethyl)-3-methoxy-5-methylbenzene, Benzene,1-(1,1-dimethylethyl)-3-methoxy-5-methyl-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18O |
| Molecular Weight | 178.13577 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.13577 Da |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
| SMILES | CC1=CC(=CC(=C1)OC)C(C)(C)C |
| InChIKey | SIRJAAYBSCHVTB-UHFFFAOYSA-N |
Chemical Property Profile of 3-tert-Butyl-5-methylanisole
Property Insights of 3-tert-Butyl-5-methylanisole
The XLogP value of 3.7 indicates that 3-tert-Butyl-5-methylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-tert-Butyl-5-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-tert-Butyl-5-methylanisole has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-tert-Butyl-5-methylanisole?
The CAS number of 3-tert-Butyl-5-methylanisole is 52328-49-1.
What is the molecular formula of 3-tert-Butyl-5-methylanisole?
The molecular formula of 3-tert-Butyl-5-methylanisole is C12H18O.
What is the molecular weight of 3-tert-Butyl-5-methylanisole?
The molecular weight of 3-tert-Butyl-5-methylanisole is 178.13577 g/mol.
Where can I buy 3-tert-Butyl-5-methylanisole?
You can request a quote for 3-tert-Butyl-5-methylanisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-tert-Butyl-5-methylanisole?
Yes, CoreyChem provides custom synthesis services for 3-tert-Butyl-5-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.