2-(Benzyloxy)-6-methoxybenzonitrile
TL;DR: 2-(Benzyloxy)-6-methoxybenzonitrile (CAS 167832-66-8) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-6-phenylmethoxybenzonitrile
Also Known As: 2-(benzyloxy)-6-methoxybenzonitrile, Maybridge1_005679, 2-methoxy-6-phenylmethoxybenzonitrile, Benzonitrile,2-methoxy-6-(phenylmethoxy)-, 6-(Benzyloxy)-o-anisonitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H13NO2 |
| Molecular Weight | 239.09464 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.09464 Da |
| Heavy Atoms | 18 |
| Complexity | 290.0 |
| SMILES | COC1=C(C(=CC=C1)OCC2=CC=CC=C2)C#N |
| InChIKey | IQODCSAPOJQTCB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Benzyloxy)-6-methoxybenzonitrile
Property Insights of 2-(Benzyloxy)-6-methoxybenzonitrile
The XLogP value of 3.1 indicates that 2-(Benzyloxy)-6-methoxybenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 2-(Benzyloxy)-6-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzyloxy)-6-methoxybenzonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Benzyloxy)-6-methoxybenzonitrile?
The CAS number of 2-(Benzyloxy)-6-methoxybenzonitrile is 167832-66-8.
What is the molecular formula of 2-(Benzyloxy)-6-methoxybenzonitrile?
The molecular formula of 2-(Benzyloxy)-6-methoxybenzonitrile is C15H13NO2.
What is the molecular weight of 2-(Benzyloxy)-6-methoxybenzonitrile?
The molecular weight of 2-(Benzyloxy)-6-methoxybenzonitrile is 239.09464 g/mol.
Where can I buy 2-(Benzyloxy)-6-methoxybenzonitrile?
You can request a quote for 2-(Benzyloxy)-6-methoxybenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Benzyloxy)-6-methoxybenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Benzyloxy)-6-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.