3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one
TL;DR: 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one (CAS 63988-27-2) is a chemical compound with molecular formula C11H11ClO and molecular weight 194.04984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one
Also Known As: 3-chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one, 2-Propen-1-one, 3-chloro-1-(2,5-dimethylphenyl)-
Technical Specifications
| Molecular Formula | C11H11ClO |
| Molecular Weight | 194.04984 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.04984 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC1=CC(=C(C=C1)C)C(=O)C=CCl |
| InChIKey | XGRXFPLTRWEIKB-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one
Property Insights of 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one
The XLogP value of 3.2 indicates that 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-(2,5-dimethylphenyl)prop-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
What is the CAS number of 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one?
The CAS number of 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one is 63988-27-2.
What is the molecular formula of 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one?
The molecular formula of 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one is C11H11ClO.
What is the molecular weight of 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one?
The molecular weight of 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one is 194.04984 g/mol.
Where can I buy 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one?
You can request a quote for 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-1-(2,5-dimethylphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.