1-(4-Benzyloxyphenyl)-2-nitropropene
TL;DR: 1-(4-Benzyloxyphenyl)-2-nitropropene (CAS 100780-36-7) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene
Also Known As: 1-(4-Benzyloxyphenyl)-2-nitropropene, 4-Benzyloxy.beta.-methyl-.beta.-nitrostyrene, 1-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene, Benzene, 1-[(1E)-2-nitro-1-propen-1-yl]-4-(phenylmethoxy)-
Technical Specifications
| Molecular Formula | C16H15NO3 |
| Molecular Weight | 269.1052 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.1052 Da |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
| SMILES | C/C(=C\C1=CC=C(C=C1)OCC2=CC=CC=C2)/[N+](=O)[O-] |
| InChIKey | ZGYOAKJRIOGEBC-ACCUITESSA-N |
Chemical Property Profile of 1-(4-Benzyloxyphenyl)-2-nitropropene
Property Insights of 1-(4-Benzyloxyphenyl)-2-nitropropene
The XLogP value of 4.0 indicates that 1-(4-Benzyloxyphenyl)-2-nitropropene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-(4-Benzyloxyphenyl)-2-nitropropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzyloxyphenyl)-2-nitropropene has 0 hydrogen bond donor(s) and 3 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-(4-Benzyloxyphenyl)-2-nitropropene?
The CAS number of 1-(4-Benzyloxyphenyl)-2-nitropropene is 100780-36-7.
What is the molecular formula of 1-(4-Benzyloxyphenyl)-2-nitropropene?
The molecular formula of 1-(4-Benzyloxyphenyl)-2-nitropropene is C16H15NO3.
What is the molecular weight of 1-(4-Benzyloxyphenyl)-2-nitropropene?
The molecular weight of 1-(4-Benzyloxyphenyl)-2-nitropropene is 269.1052 g/mol.
Where can I buy 1-(4-Benzyloxyphenyl)-2-nitropropene?
You can request a quote for 1-(4-Benzyloxyphenyl)-2-nitropropene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Benzyloxyphenyl)-2-nitropropene?
Yes, CoreyChem provides custom synthesis services for 1-(4-Benzyloxyphenyl)-2-nitropropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.