Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester
TL;DR: Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester (CAS 100311-34-0) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxy-3,5-bis(prop-2-enyl)benzoate
Also Known As: ethyl 3,5-diallyl-4-hydroxybenzoate, 3,5-Diallyl-4-hydroxybenzoic acid ethyl ester, BENZOIC ACID, 3,5-DIALLYL-4-HYDROXY-, ETHYL ESTER, 1-10-00-00143 (Beilstein Handbook Reference), ethyl 4-hydroxy-3,5-bis(prop-2-enyl)benzoate
Technical Specifications
| Molecular Formula | C15H18O3 |
| Molecular Weight | 246.1256 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 246.1256 Da |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)CC=C)O)CC=C |
| InChIKey | JOUJVFQMMSBQQO-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester
Property Insights of Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester
The XLogP value of 3.9 indicates that Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester 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 Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester?
The CAS number of Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester is 100311-34-0.
What is the molecular formula of Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester?
The molecular formula of Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester is C15H18O3.
What is the molecular weight of Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester?
The molecular weight of Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester is 246.1256 g/mol.
Where can I buy Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester?
You can request a quote for Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-diallyl-4-hydroxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.