2-Cyclohexen-1-one, 3-benzoyl-
TL;DR: 2-Cyclohexen-1-one, 3-benzoyl- (CAS 100515-02-4) is a chemical compound with molecular formula C13H12O2 and molecular weight 200.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzoylcyclohex-2-en-1-one
Also Known As: 2-Cyclohexen-1-one, 3-benzoyl-, 3-benzoylcyclohex-2-en-1-one, 3-Benzoyl-2-cyclohexen-1-one, 3-benzoyl-cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C13H12O2 |
| Molecular Weight | 200.08372 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.08372 Da |
| Heavy Atoms | 15 |
| Complexity | 296.0 |
| SMILES | C1CC(=CC(=O)C1)C(=O)C2=CC=CC=C2 |
| InChIKey | AAXHJMZKURWIDS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Cyclohexen-1-one, 3-benzoyl-
Property Insights of 2-Cyclohexen-1-one, 3-benzoyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-benzoyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Cyclohexen-1-one, 3-benzoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-benzoyl- 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 2-Cyclohexen-1-one, 3-benzoyl-?
The CAS number of 2-Cyclohexen-1-one, 3-benzoyl- is 100515-02-4.
What is the molecular formula of 2-Cyclohexen-1-one, 3-benzoyl-?
The molecular formula of 2-Cyclohexen-1-one, 3-benzoyl- is C13H12O2.
What is the molecular weight of 2-Cyclohexen-1-one, 3-benzoyl-?
The molecular weight of 2-Cyclohexen-1-one, 3-benzoyl- is 200.08372 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-benzoyl-?
You can request a quote for 2-Cyclohexen-1-one, 3-benzoyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Cyclohexen-1-one, 3-benzoyl-?
Yes, CoreyChem provides custom synthesis services for 2-Cyclohexen-1-one, 3-benzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.