2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione
TL;DR: 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione (CAS 55776-43-7) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
Also Known As: Khi 201, n-Propyl-phenyltellurid, 2- cyclopentene-1,3-dione, 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione, 4-Cyclopentene-1,3-dione, 2-((4-hydroxy-3-methoxyphenyl)methylene)-
Technical Specifications
| Molecular Formula | C13H10O4 |
| Molecular Weight | 230.0579 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0579 Da |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
| SMILES | COC1=C(C=CC(=C1)C=C2C(=O)C=CC2=O)O |
| InChIKey | ANRJXDLUSYOZDU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione
Property Insights of 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione. Following Lipinski's Rule of Five, 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione 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 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione?
The CAS number of 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione is 55776-43-7.
What is the molecular formula of 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione?
The molecular formula of 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione is C13H10O4.
What is the molecular weight of 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione?
The molecular weight of 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione is 230.0579 g/mol.
Where can I buy 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione?
You can request a quote for 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2-(3'-Methoxy-4'-hydroxybenzylidene)cyclopentene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.