1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one
TL;DR: 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one (CAS 113337-38-5) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichlorophenyl)-2-hydroxyethanone
Also Known As: 1-(3,4-dichlorophenyl)-2-hydroxyethanone, 1-(3,4-dichlorophenyl)-2-hydroxy-1-ethanone, 1-(3,4-dichlorophenyl)-2-hydroxyethan-1-one, 3',4'-Dichloro-2-hydroxyacetophenone, dichlorophenylhydroxyethanone
Technical Specifications
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 203.97449 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.97449 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | C1=CC(=C(C=C1C(=O)CO)Cl)Cl |
| InChIKey | VEQBTDISCZJNID-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one
Property Insights of 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one has 1 hydrogen bond donor(s) and 2 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-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one?
The CAS number of 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one is 113337-38-5.
What is the molecular formula of 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one?
The molecular formula of 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one is C8H6Cl2O2.
What is the molecular weight of 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one?
The molecular weight of 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one is 203.97449 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one?
You can request a quote for 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-Dichlorophenyl)-2-hydroxyethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.