Benzoic acid, 3,5-diallyl-4-hydroxy-
TL;DR: Benzoic acid, 3,5-diallyl-4-hydroxy- (CAS 100311-33-9) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3,5-bis(prop-2-enyl)benzoic acid
Also Known As: 3,5-Diallyl-4-hydroxybenzoic acid, BENZOIC ACID, 3,5-DIALLYL-4-HYDROXY-, 4-10-00-01129 (Beilstein Handbook Reference), 4-hydroxy-3,5-bis(prop-2-enyl)benzoic acid, 4-hydroxy-3,5-di(prop-2-en-1-yl)benzoic acid
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.0943 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.0943 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | C=CCC1=CC(=CC(=C1O)CC=C)C(=O)O |
| InChIKey | QIQJOLWVADYXBG-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3,5-diallyl-4-hydroxy-
Property Insights of Benzoic acid, 3,5-diallyl-4-hydroxy-
The XLogP value of 3.2 indicates that Benzoic acid, 3,5-diallyl-4-hydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Benzoic acid, 3,5-diallyl-4-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3,5-diallyl-4-hydroxy- has 2 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-?
The CAS number of Benzoic acid, 3,5-diallyl-4-hydroxy- is 100311-33-9.
What is the molecular formula of Benzoic acid, 3,5-diallyl-4-hydroxy-?
The molecular formula of Benzoic acid, 3,5-diallyl-4-hydroxy- is C13H14O3.
What is the molecular weight of Benzoic acid, 3,5-diallyl-4-hydroxy-?
The molecular weight of Benzoic acid, 3,5-diallyl-4-hydroxy- is 218.0943 g/mol.
Where can I buy Benzoic acid, 3,5-diallyl-4-hydroxy-?
You can request a quote for Benzoic acid, 3,5-diallyl-4-hydroxy- 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-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3,5-diallyl-4-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.