4-Phenylcyclohexane-1,3-dione
TL;DR: 4-Phenylcyclohexane-1,3-dione (CAS 776-69-2) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylcyclohexane-1,3-dione
Also Known As: 4-phenylcyclohexane-1,3-dione, 1,3-Cyclohexanedione, 4-phenyl-, 6-Phenyl-cyclohexan-1,3-dion, 4-PHENYL-1,3-CYCLOHEXANEDIONE
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.0923 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 353.8443 |
Chemical Identifiers
| CAS Number | 776-69-2 |
|---|---|
| SMILES | C1CC(=O)CC(=O)C1C2=CC=CC=C2 |
Product Overview
4-Phenylcyclohexane-1,3-dione (CAS 776-69-2), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 4-phenylcyclohexane-1,3-dione.
Chemical Property Profile of 4-Phenylcyclohexane-1,3-dione
Property Insights of 4-Phenylcyclohexane-1,3-dione
The XLogP value of 2.0923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 4-Phenylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylcyclohexane-1,3-dione 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
Frequently Asked Questions
What is the CAS number of 4-Phenylcyclohexane-1,3-dione?
The CAS number of 4-Phenylcyclohexane-1,3-dione is 776-69-2.
What is the molecular formula of 4-Phenylcyclohexane-1,3-dione?
The molecular formula of 4-Phenylcyclohexane-1,3-dione is C12H12O2.
What is the molecular weight of 4-Phenylcyclohexane-1,3-dione?
The molecular weight of 4-Phenylcyclohexane-1,3-dione is 188.08 g/mol.
Where can I buy 4-Phenylcyclohexane-1,3-dione?
You can request a quote for 4-Phenylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.