3-(3-Chlorophenyl)cyclohex-2-en-1-one
TL;DR: 3-(3-Chlorophenyl)cyclohex-2-en-1-one (CAS 191112-26-2) is a chemical compound with molecular formula C12H11ClO and molecular weight 206.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)cyclohex-2-en-1-one
Also Known As: 3-(3-chlorophenyl)cyclohex-2-enone, 3-(3-chlorophenyl)cyclohex-2-en-1-one, 3-(3-Chlorophenyl)-2-cyclohexen-1-one
| Molecular Formula | C12H11ClO |
|---|---|
| Molecular Weight | 206.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.04984 |
| Heavy Atoms | 14 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 191112-26-2 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)C2=CC(=CC=C2)Cl |
| InChIKey | FVWRULYQPVKAKJ-UHFFFAOYSA-N |
Product Overview
3-(3-Chlorophenyl)cyclohex-2-en-1-one (CAS 191112-26-2), with molecular formula C12H11ClO and molecular weight 206.05 g/mol. IUPAC: 3-(3-chlorophenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-(3-Chlorophenyl)cyclohex-2-en-1-one
Property Insights of 3-(3-Chlorophenyl)cyclohex-2-en-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chlorophenyl)cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(3-Chlorophenyl)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chlorophenyl)cyclohex-2-en-1-one 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 3-(3-Chlorophenyl)cyclohex-2-en-1-one?
The CAS number of 3-(3-Chlorophenyl)cyclohex-2-en-1-one is 191112-26-2.
What is the molecular formula of 3-(3-Chlorophenyl)cyclohex-2-en-1-one?
The molecular formula of 3-(3-Chlorophenyl)cyclohex-2-en-1-one is C12H11ClO.
What is the molecular weight of 3-(3-Chlorophenyl)cyclohex-2-en-1-one?
The molecular weight of 3-(3-Chlorophenyl)cyclohex-2-en-1-one is 206.05 g/mol.
Where can I buy 3-(3-Chlorophenyl)cyclohex-2-en-1-one?
You can request a quote for 3-(3-Chlorophenyl)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Chlorophenyl)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chlorophenyl)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.