Phenyl-1,4-benzoquinone
TL;DR: Phenyl-1,4-benzoquinone (CAS 363-03-1) is a chemical compound with molecular formula C12H8O2 and molecular weight 184.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylcyclohexa-2,5-diene-1,4-dione
Also Known As: Phenyl-p-benzoquinone, Phenylquinone, Phenylbenzoquinone, 2-Phenyl-1,4-benzoquinone, 2-Phenylbenzoquinone
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8O2 |
| Molecular Weight | 184.05243 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.05243 Da |
| Heavy Atoms | 14 |
| Complexity | 317.0 |
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C=CC2=O |
| InChIKey | RLQZIECDMISZHS-UHFFFAOYSA-N |
Product Description
Applications: Phenyl-1,4-benzoquinone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Phenyl-1,4-benzoquinone (CAS 363-03-1) has the molecular formula C12H8O2 and a molecular weight of 184.05 g/mol. Synonyms include Phenyl-p-benzoquinone and Phenylquinone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phenyl-1,4-benzoquinone
Property Insights of Phenyl-1,4-benzoquinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl-1,4-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, Phenyl-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-1,4-benzoquinone has 0 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 Phenyl-1,4-benzoquinone?
The CAS number of Phenyl-1,4-benzoquinone is 363-03-1.
What is the molecular formula of Phenyl-1,4-benzoquinone?
The molecular formula of Phenyl-1,4-benzoquinone is C12H8O2.
What is the molecular weight of Phenyl-1,4-benzoquinone?
The molecular weight of Phenyl-1,4-benzoquinone is 184.05243 g/mol.
What are the applications of Phenyl-1,4-benzoquinone?
Phenyl-1,4-benzoquinone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Phenyl-1,4-benzoquinone?
You can request a quote for Phenyl-1,4-benzoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenyl-1,4-benzoquinone?
Yes, CoreyChem provides custom synthesis services for Phenyl-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.