2-Cyclohexen-1-one, 3-phenyl-
TL;DR: 2-Cyclohexen-1-one, 3-phenyl- (CAS 10345-87-6) is a chemical compound with molecular formula C12H12O and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylcyclohex-2-en-1-one
Also Known As: 3-Phenylcyclohex-2-en-1-one, 3-Phenyl-2-cyclohexen-1-one, 2-Cyclohexen-1-one, 3-phenyl-, 3-Phenyl-2-cyclohexenone, 1-Phenylcyclohexen-3-one
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.08882 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 10345-87-6 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)C2=CC=CC=C2 |
| InChIKey | DIELDZAPFMXAHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyclohexen-1-one, 3-phenyl- (CAS 10345-87-6), with molecular formula C12H12O and molecular weight 172.09 g/mol. IUPAC: 3-phenylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Cyclohexen-1-one, 3-phenyl-
Property Insights of 2-Cyclohexen-1-one, 3-phenyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclohexen-1-one, 3-phenyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Cyclohexen-1-one, 3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexen-1-one, 3-phenyl- has 0 hydrogen bond donor(s) and 1 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 2-Cyclohexen-1-one, 3-phenyl-?
The CAS number of 2-Cyclohexen-1-one, 3-phenyl- is 10345-87-6.
What is the molecular formula of 2-Cyclohexen-1-one, 3-phenyl-?
The molecular formula of 2-Cyclohexen-1-one, 3-phenyl- is C12H12O.
What is the molecular weight of 2-Cyclohexen-1-one, 3-phenyl-?
The molecular weight of 2-Cyclohexen-1-one, 3-phenyl- is 172.09 g/mol.
Where can I buy 2-Cyclohexen-1-one, 3-phenyl-?
You can request a quote for 2-Cyclohexen-1-one, 3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexen-1-one, 3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexen-1-one, 3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.