p-Phenoxytoluene
TL;DR: p-Phenoxytoluene (CAS 1706-12-3) 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-4-phenoxybenzene
Also Known As: 1-Methyl-4-phenoxybenzene, p-Phenoxytoluene, 1-Methyl-4-phenoxy-benzene, p-Tolyl phenyl ether, Phenyl p-tolyl ether
| Molecular Formula | C13H12O |
|---|---|
| Molecular Weight | 184.09 g/mol |
| LogP | 4.6 |
| 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 | 153.0 |
Chemical Identifiers
| CAS Number | 1706-12-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=CC=CC=C2 |
| InChIKey | SSTNIXFHCIOCJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Phenoxytoluene (CAS 1706-12-3), with molecular formula C13H12O and molecular weight 184.09 g/mol. IUPAC: 1-methyl-4-phenoxybenzene.
Chemical Property Profile of p-Phenoxytoluene
Property Insights of p-Phenoxytoluene
The XLogP value of 4.6 indicates that p-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, p-Phenoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-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 p-Phenoxytoluene?
The CAS number of p-Phenoxytoluene is 1706-12-3.
What is the molecular formula of p-Phenoxytoluene?
The molecular formula of p-Phenoxytoluene is C13H12O.
What is the molecular weight of p-Phenoxytoluene?
The molecular weight of p-Phenoxytoluene is 184.09 g/mol.
Where can I buy p-Phenoxytoluene?
You can request a quote for p-Phenoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Phenoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for p-Phenoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.