Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester
TL;DR: Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester (CAS 100347-72-6) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3,5-dimethyl-4-prop-2-enoxybenzoate
Also Known As: Ethyl 4-allyloxy-3,5-dimethylbenzoate, ethyl 3,5-dimethyl-4-prop-2-enoxybenzoate, 4-Allyloxy-3,5-dimethylbenzoic acid ethyl ester, BENZOIC ACID, 4-(ALLYLOXY)-3,5-DIMETHYL-, ETHYL ESTER, ethyl 3,5-dimethyl-4-(prop-2-en-1-yloxy)benzoate
Technical Specifications
| Molecular Formula | C14H18O3 |
| Molecular Weight | 234.1256 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.1256 Da |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)C)OCC=C)C |
| InChIKey | RJIKVTNJKCUWOA-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester
Property Insights of Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester
The XLogP value of 3.5 indicates that Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester 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 Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester?
The CAS number of Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester is 100347-72-6.
What is the molecular formula of Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester?
The molecular formula of Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester is C14H18O3.
What is the molecular weight of Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester?
The molecular weight of Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester is 234.1256 g/mol.
Where can I buy Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester?
You can request a quote for Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-(allyloxy)-3,5-dimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.