4-Hydroxycyclohexa-2,5-dien-1-one
TL;DR: 4-Hydroxycyclohexa-2,5-dien-1-one (CAS 4323-21-1) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.03678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxycyclohexa-2,5-dien-1-one
Also Known As: Benzosemiquinone, p-Chinole, 4-hydroxycyclohexa-2,5-dien-1-one, 4-Hydroxy-2,5-cyclohexadiene-1-one, 2,5-Cyclohexadien-1-one, 4-hydroxy-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6O2 |
| Molecular Weight | 110.03678 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.03678 Da |
| Heavy Atoms | 8 |
| Complexity | 140.0 |
| SMILES | C1=CC(=O)C=CC1O |
| InChIKey | ZHIJXDCTUKJHPK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxycyclohexa-2,5-dien-1-one
Property Insights of 4-Hydroxycyclohexa-2,5-dien-1-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxycyclohexa-2,5-dien-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxycyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxycyclohexa-2,5-dien-1-one has 1 hydrogen bond donor(s) and 2 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-Hydroxycyclohexa-2,5-dien-1-one?
The CAS number of 4-Hydroxycyclohexa-2,5-dien-1-one is 4323-21-1.
What is the molecular formula of 4-Hydroxycyclohexa-2,5-dien-1-one?
The molecular formula of 4-Hydroxycyclohexa-2,5-dien-1-one is C6H6O2.
What is the molecular weight of 4-Hydroxycyclohexa-2,5-dien-1-one?
The molecular weight of 4-Hydroxycyclohexa-2,5-dien-1-one is 110.03678 g/mol.
Where can I buy 4-Hydroxycyclohexa-2,5-dien-1-one?
You can request a quote for 4-Hydroxycyclohexa-2,5-dien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxycyclohexa-2,5-dien-1-one?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxycyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.