8-Hydroxycoumarin
TL;DR: 8-Hydroxycoumarin (CAS 2442-31-1) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.0317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-hydroxychromen-2-one
Also Known As: 8-Hydroxycoumarin, 8-Hydroxy-2H-chromen-2-one, 8-hydroxychromen-2-one, 8-Hydroxy Coumarin, 8-Hydroxy-2H-1-benzopyran-2-one
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6O3 |
| Molecular Weight | 162.0317 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.0317 Da |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
| SMILES | C1=CC2=C(C(=C1)O)OC(=O)C=C2 |
| InChIKey | DPTUTXWBBUARQB-UHFFFAOYSA-N |
Chemical Property Profile of 8-Hydroxycoumarin
Property Insights of 8-Hydroxycoumarin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Hydroxycoumarin. With a topological polar surface area (TPSA) of 46.5 Ų, 8-Hydroxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Hydroxycoumarin 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 8-Hydroxycoumarin?
The CAS number of 8-Hydroxycoumarin is 2442-31-1.
What is the molecular formula of 8-Hydroxycoumarin?
The molecular formula of 8-Hydroxycoumarin is C9H6O3.
What is the molecular weight of 8-Hydroxycoumarin?
The molecular weight of 8-Hydroxycoumarin is 162.0317 g/mol.
Where can I buy 8-Hydroxycoumarin?
You can request a quote for 8-Hydroxycoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Hydroxycoumarin?
Yes, CoreyChem provides custom synthesis services for 8-Hydroxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.