3-甲基苯甲醚
TL;DR: 3-甲基苯甲醚 (CAS 100-84-5) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基苯甲醚
1-methoxy-3-methylbenzene
Also Known As: 3-Methylanisole, 1-Methoxy-3-methylbenzene, 3-Methoxytoluene, m-Methylanisole, m-Cresol methyl ether
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
| Vapor Pressure | 1.5 [mmHg] |
Chemical Identifiers
| CAS Number | 100-84-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC |
| InChIKey | OSIGJGFTADMDOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基苯甲醚 (CAS 100-84-5), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: 1-methoxy-3-methylbenzene.
Chemical Property Profile of 3-甲基苯甲醚
Property Insights of 3-甲基苯甲醚
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基苯甲醚. With a topological polar surface area (TPSA) of 9.2 Ų, 3-甲基苯甲醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基苯甲醚 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 3-甲基苯甲醚?
The CAS number of 3-甲基苯甲醚 is 100-84-5.
What is the molecular formula of 3-甲基苯甲醚?
The molecular formula of 3-甲基苯甲醚 is C8H10O.
What is the molecular weight of 3-甲基苯甲醚?
The molecular weight of 3-甲基苯甲醚 is 122.07 g/mol.
Where can I buy 3-甲基苯甲醚?
You can request a quote for 3-甲基苯甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基苯甲醚?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基苯甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.