TL;DR: 2-[3-(4-Nitro-phenyl)-allylideneamino]-phenol (CAS 1187781-15-2) is a chemical compound with molecular formula C15H12N2O3 and molecular weight 268.08478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]phenol
Also Known As: 2-[3-(4-Nitro-phenyl)-allylideneamino]-phenol, BAS 00074275, 2-[(3-{4-nitrophenyl}-2-propenylidene)amino]phenol, 2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]phenol, 2-[(E)-[(2E)-3-(4-NITROPHENYL)PROP-2-EN-1-YLIDENE]AMINO]PHENOL
| Molecular Formula | C15H12N2O3 |
| Molecular Weight | 268.08478 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.08478 Da |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
| SMILES | C1=CC=C(C(=C1)N=C/C=C/C2=CC=C(C=C2)[N+](=O)[O-])O |
| InChIKey | HYFJDUBKWVILOC-KJFCXQQNSA-N |
The XLogP value of 3.1 indicates that 2-[3-(4-Nitro-phenyl)-allylideneamino]-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Nitro-phenyl)-allylideneamino]-phenol. Following Lipinski's Rule of Five, 2-[3-(4-Nitro-phenyl)-allylideneamino]-phenol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[3-(4-Nitro-phenyl)-allylideneamino]-phenol is 1187781-15-2.
The molecular formula of 2-[3-(4-Nitro-phenyl)-allylideneamino]-phenol is C15H12N2O3.
The molecular weight of 2-[3-(4-Nitro-phenyl)-allylideneamino]-phenol is 268.08478 g/mol.
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