2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene
TL;DR: 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene (CAS 158549-25-8) is a chemical compound with molecular formula C10H13BrO and molecular weight 228.01498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(bromomethyl)-3-methoxy-1,4-dimethylbenzene
Also Known As: 2-(Bromomethyl)-3,6-dimethylanisole, 3,6-Dimethyl-2-methoxybenzyl bromide, 2-(bromomethyl)-3-methoxy-1,4-dimethylbenzene, 2-(bromomethyl)-3-methoxy-1,4-dimethyl-benzene
Technical Specifications
| Molecular Formula | C10H13BrO |
| Molecular Weight | 228.01498 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.01498 Da |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
| SMILES | CC1=C(C(=C(C=C1)C)OC)CBr |
| InChIKey | FWVPEZXULMVOTK-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene
Property Insights of 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene
The XLogP value of 3.2 indicates that 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene 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 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene?
The CAS number of 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene is 158549-25-8.
What is the molecular formula of 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene?
The molecular formula of 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene is C10H13BrO.
What is the molecular weight of 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene?
The molecular weight of 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene is 228.01498 g/mol.
Where can I buy 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene?
You can request a quote for 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 2-(Bromomethyl)-3-methoxy-1,4-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.