5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene
TL;DR: 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene (CAS 100125-86-8) is a chemical compound with molecular formula C11H13BrO and molecular weight 240.01498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-1,3-dimethyl-2-prop-2-enoxybenzene
Also Known As: 2-Allyloxy-5-bromo-1,3-xylene, 2-Allyloxy-5-bromo-m-xylene, 1,3-Xylene, 2-allyloxy-5-bromo-, 4-Allyloxy-1-bromo-3,5-dimethylbenzene, allyl-(4-bromo-2,6-dimethyl-phenyl)-ether
Technical Specifications
| Molecular Formula | C11H13BrO |
| Molecular Weight | 240.01498 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.01498 Da |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
| SMILES | CC1=CC(=CC(=C1OCC=C)C)Br |
| InChIKey | HOODMSZVHBIEJT-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene
Property Insights of 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene
The XLogP value of 4.0 indicates that 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene 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 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene?
The CAS number of 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene is 100125-86-8.
What is the molecular formula of 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene?
The molecular formula of 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene is C11H13BrO.
What is the molecular weight of 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene?
The molecular weight of 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene is 240.01498 g/mol.
Where can I buy 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene?
You can request a quote for 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-1,3-dimethyl-2-((prop-2-en-1-yl)oxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.