1-Tert-butyl-4-propoxybenzene
TL;DR: 1-Tert-butyl-4-propoxybenzene (CAS 108318-78-1) is a chemical compound with molecular formula C13H20O and molecular weight 192.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-tert-butyl-4-propoxybenzene
Also Known As: 1-tert-butyl-4-propoxybenzene, 1-(tert-Butyl)-4-propoxybenzene, Benzene, 1-(1,1-dimethylethyl)-4-propoxy-, 1-Propoxy-4-tert-butylbenzene, 1-propoxy-4-tert-butyl-benzene
Technical Specifications
| Molecular Formula | C13H20O |
| Molecular Weight | 192.15141 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.15141 Da |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
| SMILES | CCCOC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | SESHYPWSAOBSOY-UHFFFAOYSA-N |
Chemical Property Profile of 1-Tert-butyl-4-propoxybenzene
Property Insights of 1-Tert-butyl-4-propoxybenzene
The XLogP value of 4.5 indicates that 1-Tert-butyl-4-propoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Tert-butyl-4-propoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butyl-4-propoxybenzene 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 1-Tert-butyl-4-propoxybenzene?
The CAS number of 1-Tert-butyl-4-propoxybenzene is 108318-78-1.
What is the molecular formula of 1-Tert-butyl-4-propoxybenzene?
The molecular formula of 1-Tert-butyl-4-propoxybenzene is C13H20O.
What is the molecular weight of 1-Tert-butyl-4-propoxybenzene?
The molecular weight of 1-Tert-butyl-4-propoxybenzene is 192.15141 g/mol.
Where can I buy 1-Tert-butyl-4-propoxybenzene?
You can request a quote for 1-Tert-butyl-4-propoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Tert-butyl-4-propoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-Tert-butyl-4-propoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.