Ethyl 4-(prop-2-en-1-yloxy)benzoate
TL;DR: Ethyl 4-(prop-2-en-1-yloxy)benzoate (CAS 105208-23-9) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-prop-2-enoxybenzoate
Also Known As: ethyl 4-prop-2-enoxybenzoate, ethyl 4-(prop-2-en-1-yloxy)benzoate, ethyl 4-(allyloxy)benzoate, ethyl 4-allyloxybenzoate, ethyl 4-allyloxy benzoate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)OCC=C |
| InChIKey | HRYWHQPVJCXFQR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(prop-2-en-1-yloxy)benzoate
Property Insights of Ethyl 4-(prop-2-en-1-yloxy)benzoate
The XLogP value of 3.4 indicates that Ethyl 4-(prop-2-en-1-yloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 4-(prop-2-en-1-yloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(prop-2-en-1-yloxy)benzoate 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 Ethyl 4-(prop-2-en-1-yloxy)benzoate?
The CAS number of Ethyl 4-(prop-2-en-1-yloxy)benzoate is 105208-23-9.
What is the molecular formula of Ethyl 4-(prop-2-en-1-yloxy)benzoate?
The molecular formula of Ethyl 4-(prop-2-en-1-yloxy)benzoate is C12H14O3.
What is the molecular weight of Ethyl 4-(prop-2-en-1-yloxy)benzoate?
The molecular weight of Ethyl 4-(prop-2-en-1-yloxy)benzoate is 206.0943 g/mol.
Where can I buy Ethyl 4-(prop-2-en-1-yloxy)benzoate?
You can request a quote for Ethyl 4-(prop-2-en-1-yloxy)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(prop-2-en-1-yloxy)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(prop-2-en-1-yloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.