3-Methoxytoluene
TL;DR: 3-Methoxytoluene (CAS 100-84-5) is a chemical compound with molecular formula C8H10O and molecular weight 122.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methoxy-3-methylbenzene
Also Known As: 3-Methylanisole, 1-Methoxy-3-methylbenzene, 3-Methoxytoluene, m-Methylanisole, m-Cresol methyl ether
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O |
| Molecular Weight | 122.073166 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 Da |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Vapor Pressure | 1.5 [mmHg] |
| SMILES | CC1=CC(=CC=C1)OC |
| InChIKey | OSIGJGFTADMDOB-UHFFFAOYSA-N |
Product Description
Applications: 3-Methoxytoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 3-Methoxytoluene (CAS 100-84-5) has the molecular formula C8H10O and a molecular weight of 122.07 g/mol. Synonyms include 3-Methylanisole and 1-Methoxy-3-methylbenzene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Methoxytoluene
Property Insights of 3-Methoxytoluene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxytoluene. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Methoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxytoluene 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-Methoxytoluene?
The CAS number of 3-Methoxytoluene is 100-84-5.
What is the molecular formula of 3-Methoxytoluene?
The molecular formula of 3-Methoxytoluene is C8H10O.
What is the molecular weight of 3-Methoxytoluene?
The molecular weight of 3-Methoxytoluene is 122.073166 g/mol.
What are the applications of 3-Methoxytoluene?
3-Methoxytoluene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Methoxytoluene?
You can request a quote for 3-Methoxytoluene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxytoluene?
Yes, CoreyChem provides custom synthesis services for 3-Methoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.