3-Chloro-2-methylpropiophenone
TL;DR: 3-Chloro-2-methylpropiophenone (CAS 138743-58-5) is a chemical compound with molecular formula C10H11ClO and molecular weight 182.04984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2-methyl-1-phenylpropan-1-one
Also Known As: beta-Chloro-alpha-methylpropiophenone, 3-chloro-2-methyl-1-phenylpropan-1-one, 3-CHLORO-2-METHYLPROPIOPHENONE, 3-chloro-2-methyl-1-phenyl-propan-1-one, 1-Propanone, 3-chloro-2-methyl-1-phenyl-, (R)-
Technical Specifications
| Molecular Formula | C10H11ClO |
| Molecular Weight | 182.04984 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04984 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CC(CCl)C(=O)C1=CC=CC=C1 |
| InChIKey | VAMAAKQTBVOJPR-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2-methylpropiophenone
Property Insights of 3-Chloro-2-methylpropiophenone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-methylpropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Chloro-2-methylpropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-methylpropiophenone 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-2-methylpropiophenone?
The CAS number of 3-Chloro-2-methylpropiophenone is 138743-58-5.
What is the molecular formula of 3-Chloro-2-methylpropiophenone?
The molecular formula of 3-Chloro-2-methylpropiophenone is C10H11ClO.
What is the molecular weight of 3-Chloro-2-methylpropiophenone?
The molecular weight of 3-Chloro-2-methylpropiophenone is 182.04984 g/mol.
Where can I buy 3-Chloro-2-methylpropiophenone?
You can request a quote for 3-Chloro-2-methylpropiophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2-methylpropiophenone?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2-methylpropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.