1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
TL;DR: 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone (CAS 66346-01-8) is a chemical compound with molecular formula C13H17ClO and molecular weight 224.09679 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-4,4-dimethylpentan-3-one
Also Known As: 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone, 1-(4-chlorophenyl)-4,4-dimethylpentan-3-one, HWG 1608-Alkylketon, 4-Chlorobenzylpinacolone, 5-phenyl-1H-indole
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H17ClO |
| Molecular Weight | 224.09679 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.09679 Da |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
| SMILES | CC(C)(C)C(=O)CCC1=CC=C(C=C1)Cl |
| InChIKey | ILQGIJDYSLHIOX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
Property Insights of 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
The XLogP value of 3.9 indicates that 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone 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
What is the CAS number of 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone?
The CAS number of 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone is 66346-01-8.
What is the molecular formula of 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone?
The molecular formula of 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone is C13H17ClO.
What is the molecular weight of 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone?
The molecular weight of 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone is 224.09679 g/mol.
Where can I buy 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone?
You can request a quote for 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone?
Yes, CoreyChem provides custom synthesis services for 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.