1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene
TL;DR: 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene (CAS 54756-96-6) is a chemical compound with molecular formula C11H15ClO and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-4-methoxy-1,3,5-trimethylbenzene
Also Known As: 3-methoxy-2,4,6-trimethyl-benzyl chloride, 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene, 3-Methoxy-2,4,6-trimethylbenzyl chloride, 2-(chloromethyl)-4-methoxy-1,3,5-trimethylbenzene, 3-(Chloromethyl)-2,4,6-trimethylphenyl methyl ether #
| Molecular Formula | C11H15ClO |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.08115 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 54756-96-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CCl)C)OC)C |
| InChIKey | OFAPOIQWQHHULN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene (CAS 54756-96-6), with molecular formula C11H15ClO and molecular weight 198.08 g/mol. IUPAC: 2-(chloromethyl)-4-methoxy-1,3,5-trimethylbenzene.
Chemical Property Profile of 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene
Property Insights of 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene
The XLogP value of 3.4 indicates that 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene 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-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene 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
Frequently Asked Questions
What is the CAS number of 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene?
The CAS number of 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene is 54756-96-6.
What is the molecular formula of 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene?
The molecular formula of 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene is C11H15ClO.
What is the molecular weight of 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene?
The molecular weight of 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene is 198.08 g/mol.
Where can I buy 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene?
You can request a quote for 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-3-chloromethyl-2,4,6-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.