Anisole
TL;DR: Anisole (CAS 100-66-3) is a chemical compound with molecular formula C7H8O and molecular weight 108.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
anisole
Also Known As: ANISOLE, Methoxybenzene, Benzene, methoxy-, Methyl phenyl ether, Phenoxymethane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8O |
| Molecular Weight | 108.05752 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.05752 Da |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Melting Point | -37.3 °C |
| Boiling Point | 155.5 °C AT 760 MM HG |
| Density | 0.9956 AT 18 °C/4 °C |
| Flash Point | 125 °F (NFPA, 2010) |
| Vapor Pressure | 3.54 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.51791 AT 20 °C/D |
| Solubility | SOLUBLE IN ALCOHOL AND ETHER |
| SMILES | COC1=CC=CC=C1 |
| InChIKey | RDOXTESZEPMUJZ-UHFFFAOYSA-N |
Chemical Property Profile of Anisole
Property Insights of Anisole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anisole. With a topological polar surface area (TPSA) of 9.2 Ų, Anisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anisole 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 Anisole?
The CAS number of Anisole is 100-66-3.
What is the molecular formula of Anisole?
The molecular formula of Anisole is C7H8O.
What is the molecular weight of Anisole?
The molecular weight of Anisole is 108.05752 g/mol.
Where can I buy Anisole?
You can request a quote for Anisole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Anisole?
Yes, CoreyChem provides custom synthesis services for Anisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.