3-Phenoxytoluene
TL;DR: 3-Phenoxytoluene (CAS 3586-14-9) is a chemical compound with molecular formula C13H12O and molecular weight 184.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-phenoxybenzene
Also Known As: 3-Phenoxytoluene, 1-Methyl-3-phenoxybenzene, m-Phenoxytoluene, 3-Methyldiphenyl ether, Phenyl m-tolyl ether
| Molecular Formula | C13H12O |
|---|---|
| Molecular Weight | 184.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.08882 |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 3586-14-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC2=CC=CC=C2 |
| InChIKey | UDONPJKEOAWFGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenoxytoluene (CAS 3586-14-9), with molecular formula C13H12O and molecular weight 184.09 g/mol. IUPAC: 1-methyl-3-phenoxybenzene.
Chemical Property Profile of 3-Phenoxytoluene
Property Insights of 3-Phenoxytoluene
The XLogP value of 3.7 indicates that 3-Phenoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Phenoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenoxytoluene 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-Phenoxytoluene?
The CAS number of 3-Phenoxytoluene is 3586-14-9.
What is the molecular formula of 3-Phenoxytoluene?
The molecular formula of 3-Phenoxytoluene is C13H12O.
What is the molecular weight of 3-Phenoxytoluene?
The molecular weight of 3-Phenoxytoluene is 184.09 g/mol.
Where can I buy 3-Phenoxytoluene?
You can request a quote for 3-Phenoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.