4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one
TL;DR: 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one (CAS 23438-23-5) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
Also Known As: 2, 4-hydroxy-4-methyl-, 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one, 2,5-Cyclohexadien-1-one, 4-hydroxy-4-methyl-, MUBYTRYBVWQAKF-UHFFFAOYSA-, 4-hydroxy-4-methylcyclohexa-2,5-dien-1-one
Technical Specifications
| Molecular Formula | C7H8O2 |
| Molecular Weight | 124.05243 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.05243 Da |
| Heavy Atoms | 9 |
| Complexity | 173.0 |
| SMILES | CC1(C=CC(=O)C=C1)O |
| InChIKey | MUBYTRYBVWQAKF-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one
Property Insights of 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-4-methyl-2,5-cyclohexadien-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-Hydroxy-4-methyl-2,5-cyclohexadien-1-one?
The CAS number of 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one is 23438-23-5.
What is the molecular formula of 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one?
The molecular formula of 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one is C7H8O2.
What is the molecular weight of 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one?
The molecular weight of 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one is 124.05243 g/mol.
Where can I buy 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one?
You can request a quote for 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.