1-(1-Isocyanoethyl)-2-methoxybenzene
TL;DR: 1-(1-Isocyanoethyl)-2-methoxybenzene (CAS 1037841-97-6) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-isocyanoethyl)-2-methoxybenzene
Also Known As: 1-(1-isocyanoethyl)-2-methoxybenzene, 1-(1-isocyanoethyl)-2-methoxy-benzene
Technical Specifications
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.08406 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 Da |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
| SMILES | CC(C1=CC=CC=C1OC)[N+]#[C-] |
| InChIKey | DUFYDYLWMNKXCS-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Isocyanoethyl)-2-methoxybenzene
Property Insights of 1-(1-Isocyanoethyl)-2-methoxybenzene
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Isocyanoethyl)-2-methoxybenzene. With a topological polar surface area (TPSA) of 13.6 Ų, 1-(1-Isocyanoethyl)-2-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-2-methoxybenzene has 0 hydrogen bond donor(s) and 2 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-(1-Isocyanoethyl)-2-methoxybenzene?
The CAS number of 1-(1-Isocyanoethyl)-2-methoxybenzene is 1037841-97-6.
What is the molecular formula of 1-(1-Isocyanoethyl)-2-methoxybenzene?
The molecular formula of 1-(1-Isocyanoethyl)-2-methoxybenzene is C10H11NO.
What is the molecular weight of 1-(1-Isocyanoethyl)-2-methoxybenzene?
The molecular weight of 1-(1-Isocyanoethyl)-2-methoxybenzene is 161.08406 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-2-methoxybenzene?
You can request a quote for 1-(1-Isocyanoethyl)-2-methoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Isocyanoethyl)-2-methoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-(1-Isocyanoethyl)-2-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.