1-Methyl-2-phenoxybenzene
TL;DR: 1-Methyl-2-phenoxybenzene (CAS 3991-61-5) is a chemical compound with molecular formula C13H12O and molecular weight 184.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-phenoxybenzene
Also Known As: o-Phenoxytoluene, Phenyl o-tolyl ether, 1-Methyl-2-phenoxybenzene, Phenoxytoluene, Ether, phenyl o-tolyl
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12O |
| Molecular Weight | 184.08882 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.08882 Da |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
| SMILES | CC1=CC=CC=C1OC2=CC=CC=C2 |
| InChIKey | WCOYPFBMFKXWBM-UHFFFAOYSA-N |
Chemical Property Profile of 1-Methyl-2-phenoxybenzene
Property Insights of 1-Methyl-2-phenoxybenzene
The XLogP value of 4.3 indicates that 1-Methyl-2-phenoxybenzene 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-Methyl-2-phenoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-phenoxybenzene 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 1-Methyl-2-phenoxybenzene?
The CAS number of 1-Methyl-2-phenoxybenzene is 3991-61-5.
What is the molecular formula of 1-Methyl-2-phenoxybenzene?
The molecular formula of 1-Methyl-2-phenoxybenzene is C13H12O.
What is the molecular weight of 1-Methyl-2-phenoxybenzene?
The molecular weight of 1-Methyl-2-phenoxybenzene is 184.08882 g/mol.
Where can I buy 1-Methyl-2-phenoxybenzene?
You can request a quote for 1-Methyl-2-phenoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Methyl-2-phenoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-Methyl-2-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.