2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone
TL;DR: 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone (CAS 118824-94-5) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-dihydroxy-3-methyl-5-nitrophenyl)ethanone
Also Known As: 2',4'-DIHYDROXY-3'-METHYL-5'-NITROACETOPHENONE, 1-(2,4-dihydroxy-3-methyl-5-nitro-phenyl)ethanone, 1-(2,4-dihydroxy-3-methyl-5-nitrophenyl)ethanone, 1-(2,4-dihydroxy-3-methyl-5-nitrophenyl)ethan-1-one, 661-793-2
Technical Specifications
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.04807 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.04807 Da |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
| SMILES | CC1=C(C(=CC(=C1O)[N+](=O)[O-])C(=O)C)O |
| InChIKey | PIYDSCSXFORFEA-UHFFFAOYSA-N |
Chemical Property Profile of 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone
Property Insights of 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone. Following Lipinski's Rule of Five, 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone?
The CAS number of 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone is 118824-94-5.
What is the molecular formula of 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone?
The molecular formula of 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone is C9H9NO5.
What is the molecular weight of 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone?
The molecular weight of 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone is 211.04807 g/mol.
Where can I buy 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone?
You can request a quote for 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone?
Yes, CoreyChem provides custom synthesis services for 2',4'-Dihydroxy-3'-methyl-5'-nitroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.