About 1-ethoxy-2-(1-phenylethenyl)benzene
1-ethoxy-2-(1-phenylethenyl)benzene (PubChem CID 162347910) has the molecular formula C16H16O
and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-ethoxy-2-(1-phenylethenyl)benzene.
Molecular Properties
| Compound Name | 1-ethoxy-2-(1-phenylethenyl)benzene |
| PubChem CID | 162347910 |
| Molecular Formula | C16H16O |
| Molecular Weight | 224.30 g/mol |
| Exact Mass | 224.12 |
| IUPAC Name | 1-ethoxy-2-(1-phenylethenyl)benzene |
| SMILES | C=C(c1ccccc1)c1ccccc1OCC |
| InChI | InChI=1S/C16H16O/c1-3-17-16-12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3 |
| InChIKey | JXPTWWVLYQUFJK-UHFFFAOYSA-N |
| XLogP | 4.15 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 224.30 |
| LogP ≤ 5 | 4.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 1-ethoxy-2-(1-phenylethenyl)benzene?
The IUPAC name of 1-ethoxy-2-(1-phenylethenyl)benzene (CID 162347910) is 1-ethoxy-2-(1-phenylethenyl)benzene.
What is the SMILES notation for 1-ethoxy-2-(1-phenylethenyl)benzene?
The canonical SMILES for 1-ethoxy-2-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1ccccc1OCC.
What is the InChIKey of 1-ethoxy-2-(1-phenylethenyl)benzene?
The InChIKey is JXPTWWVLYQUFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-3-17-16-12-8-7-11-15(16)13(2)14-9-5-4-6-10-14/h4-12H,2-3H2,1H3.
What are the key properties of 1-ethoxy-2-(1-phenylethenyl)benzene?
1-ethoxy-2-(1-phenylethenyl)benzene has a molecular weight of 224.30 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(1-phenylethenyl)benzene is sourced from PubChem (CID 162347910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).