TL;DR: Methanone, (4-(1,1-dimethylethyl)phenyl)(4-nitrophenyl)- (CAS 10372-92-6) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-tert-butylphenyl)-(4-nitrophenyl)methanone
Also Known As: Benzophenone, 4-tert-butyl-4'-nitro-, Methanone, (4-(1,1-dimethylethyl)phenyl)(4-nitrophenyl)-, (4-tert-butylphenyl)-(4-nitrophenyl)methanone, 4-TERT-BUTYL-4'-NITROBENZOPHENONE, (4-(1,1-Dimethylethyl)phenyl)(4-nitrophenyl)methanone
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.12085 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.12085 Da |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | KKYQYRVNPAHJNV-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that Methanone, (4-(1,1-dimethylethyl)phenyl)(4-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (4-(1,1-dimethylethyl)phenyl)(4-nitrophenyl)-. Following Lipinski's Rule of Five, Methanone, (4-(1,1-dimethylethyl)phenyl)(4-nitrophenyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Methanone, (4-(1,1-dimethylethyl)phenyl)(4-nitrophenyl)- is 10372-92-6.
The molecular formula of Methanone, (4-(1,1-dimethylethyl)phenyl)(4-nitrophenyl)- is C17H17NO3.
The molecular weight of Methanone, (4-(1,1-dimethylethyl)phenyl)(4-nitrophenyl)- is 283.12085 g/mol.
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