TL;DR: 2-Hydroxyphenyl 1-(2-nitrophenyl)ethyl phosphate (CAS 154187-39-0) is a chemical compound with molecular formula C14H14NO7P and molecular weight 339.05078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-hydroxyphenyl) 1-(2-nitrophenyl)ethyl hydrogen phosphate
Also Known As: 2-Ohph 1-No2PhEP, 2-Hydroxyphenyl 1-(2-nitrophenyl)ethyl phosphate, (2-hydroxyphenyl) 1-(2-nitrophenyl)ethyl hydrogen phosphate, Mono(2-hydroxyphenyl)mono(1-(2-nitrophenyl)ethyl) phosphate, (2-hydroxyphenoxy)[1-(2-nitrophenyl)ethoxy]phosphinic acid
| Molecular Formula | C14H14NO7P |
| Molecular Weight | 339.05078 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.05078 Da |
| Heavy Atoms | 23 |
| Complexity | 455.0 |
| SMILES | CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=CC=C2O |
| InChIKey | SPHFYBQAUWQSQG-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyphenyl 1-(2-nitrophenyl)ethyl phosphate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxyphenyl 1-(2-nitrophenyl)ethyl phosphate. Following Lipinski's Rule of Five, 2-Hydroxyphenyl 1-(2-nitrophenyl)ethyl phosphate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Hydroxyphenyl 1-(2-nitrophenyl)ethyl phosphate is 154187-39-0.
The molecular formula of 2-Hydroxyphenyl 1-(2-nitrophenyl)ethyl phosphate is C14H14NO7P.
The molecular weight of 2-Hydroxyphenyl 1-(2-nitrophenyl)ethyl phosphate is 339.05078 g/mol.
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