4-Hydroxy-3-methoxybenzylidenemalononitrile
TL;DR: 4-Hydroxy-3-methoxybenzylidenemalononitrile (CAS 3696-12-6) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
Also Known As: Malononitrile,, Vanillylidenemalononitrile, Malononitrile, vanillylidene-, 2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile, (4-Hydroxy-3-methoxybenzylidene)malononitrile
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.05858 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.05858 Da |
| Heavy Atoms | 15 |
| Complexity | 326.0 |
| SMILES | COC1=C(C=CC(=C1)C=C(C#N)C#N)O |
| InChIKey | WKTJJISTXUHPEQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-3-methoxybenzylidenemalononitrile
Property Insights of 4-Hydroxy-3-methoxybenzylidenemalononitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-methoxybenzylidenemalononitrile. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-methoxybenzylidenemalononitrile. Following Lipinski's Rule of Five, 4-Hydroxy-3-methoxybenzylidenemalononitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Hydroxy-3-methoxybenzylidenemalononitrile?
The CAS number of 4-Hydroxy-3-methoxybenzylidenemalononitrile is 3696-12-6.
What is the molecular formula of 4-Hydroxy-3-methoxybenzylidenemalononitrile?
The molecular formula of 4-Hydroxy-3-methoxybenzylidenemalononitrile is C11H8N2O2.
What is the molecular weight of 4-Hydroxy-3-methoxybenzylidenemalononitrile?
The molecular weight of 4-Hydroxy-3-methoxybenzylidenemalononitrile is 200.05858 g/mol.
Where can I buy 4-Hydroxy-3-methoxybenzylidenemalononitrile?
You can request a quote for 4-Hydroxy-3-methoxybenzylidenemalononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-3-methoxybenzylidenemalononitrile?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-3-methoxybenzylidenemalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.