Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate
TL;DR: Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate (CAS 100347-68-0) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxy-3-prop-2-enyl-5-propylbenzoate
Also Known As: Ethyl 3-allyl-4-hydroxy-5-propylbenzoate, 3-Allyl-4-hydroxy-5-propylbenzoic acid ethyl ester, BENZOIC ACID, 3-ALLYL-4-HYDROXY-5-PROPYL-, ETHYL ESTER, ethyl 4-hydroxy-3-(prop-2-en-1-yl)-5-propylbenzoate, ethyl 4-hydroxy-3-prop-2-enyl-5-propylbenzoate
Technical Specifications
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.14125 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.14125 Da |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
| SMILES | CCCC1=C(C(=CC(=C1)C(=O)OCC)CC=C)O |
| InChIKey | HGBSODFOTQNLSP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate
Property Insights of Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate
The XLogP value of 4.2 indicates that Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate has 1 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-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate?
The CAS number of Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate is 100347-68-0.
What is the molecular formula of Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate?
The molecular formula of Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate is C15H20O3.
What is the molecular weight of Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate?
The molecular weight of Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate is 248.14125 g/mol.
Where can I buy Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate?
You can request a quote for Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-hydroxy-3-(2-propen-1-yl)-5-propylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.