2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene
TL;DR: 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene (CAS 1040378-29-7) is a chemical compound with molecular formula C11H13NO and molecular weight 175.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-isocyanoethyl)-1-methoxy-4-methylbenzene
Also Known As: 2-(1-isocyanoethyl)-1-methoxy-4-methylbenzene, 2-(1-isocyanoethyl)-1-methoxy-4-methyl-benzene
Technical Specifications
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.09972 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| SMILES | CC1=CC(=C(C=C1)OC)C(C)[N+]#[C-] |
| InChIKey | POMCTDBZXPRJGP-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene
Property Insights of 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene. With a topological polar surface area (TPSA) of 13.6 Ų, 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene 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 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene?
The CAS number of 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene is 1040378-29-7.
What is the molecular formula of 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene?
The molecular formula of 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene is C11H13NO.
What is the molecular weight of 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene?
The molecular weight of 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene is 175.09972 g/mol.
Where can I buy 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene?
You can request a quote for 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 2-(1-Isocyanoethyl)-1-methoxy-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.