Benzonitrile, 4-(allyloxy)-3,5-dimethyl-
TL;DR: Benzonitrile, 4-(allyloxy)-3,5-dimethyl- (CAS 100191-87-5) is a chemical compound with molecular formula C12H13NO and molecular weight 187.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethyl-4-prop-2-enoxybenzonitrile
Also Known As: 4-(allyloxy)-3, 4-(Allyloxy)-3,5-dimethylbenzonitrile, 4-Allyloxy-3,5-dimethylbenzonitrile, 3,5-dimethyl-4-prop-2-enoxybenzonitrile, 4-allyloxy-3,5-dimethyl-benzonitrile
Technical Specifications
| Molecular Formula | C12H13NO |
| Molecular Weight | 187.09972 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.09972 Da |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
| SMILES | CC1=CC(=CC(=C1OCC=C)C)C#N |
| InChIKey | YBVGKMVTIIYKTM-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 4-(allyloxy)-3,5-dimethyl-
Property Insights of Benzonitrile, 4-(allyloxy)-3,5-dimethyl-
The XLogP value of 3.0 indicates that Benzonitrile, 4-(allyloxy)-3,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, Benzonitrile, 4-(allyloxy)-3,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(allyloxy)-3,5-dimethyl- 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 Benzonitrile, 4-(allyloxy)-3,5-dimethyl-?
The CAS number of Benzonitrile, 4-(allyloxy)-3,5-dimethyl- is 100191-87-5.
What is the molecular formula of Benzonitrile, 4-(allyloxy)-3,5-dimethyl-?
The molecular formula of Benzonitrile, 4-(allyloxy)-3,5-dimethyl- is C12H13NO.
What is the molecular weight of Benzonitrile, 4-(allyloxy)-3,5-dimethyl-?
The molecular weight of Benzonitrile, 4-(allyloxy)-3,5-dimethyl- is 187.09972 g/mol.
Where can I buy Benzonitrile, 4-(allyloxy)-3,5-dimethyl-?
You can request a quote for Benzonitrile, 4-(allyloxy)-3,5-dimethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 4-(allyloxy)-3,5-dimethyl-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 4-(allyloxy)-3,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.