About 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan
2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan (PubChem CID 100992434) has the molecular formula C15H16O
and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan.
Molecular Properties
| Compound Name | 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan |
| PubChem CID | 100992434 |
| Molecular Formula | C15H16O |
| Molecular Weight | 212.29 g/mol |
| Exact Mass | 212.12 |
| IUPAC Name | 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan |
| SMILES | CC(C)c1ccc(/C=C/c2ccco2)cc1 |
| InChI | InChI=1S/C15H16O/c1-12(2)14-8-5-13(6-9-14)7-10-15-4-3-11-16-15/h3-12H,1-2H3/b10-7+ |
| InChIKey | MZFRCXFLYPJBBT-JXMROGBWSA-N |
| XLogP | 4.57 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 212.29 |
| LogP ≤ 5 | 4.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan?
The IUPAC name of 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan (CID 100992434) is 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan.
What is the SMILES notation for 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan?
The canonical SMILES for 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan is CC(C)c1ccc(/C=C/c2ccco2)cc1.
What is the InChIKey of 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan?
The InChIKey is MZFRCXFLYPJBBT-JXMROGBWSA-N. The full InChI is InChI=1S/C15H16O/c1-12(2)14-8-5-13(6-9-14)7-10-15-4-3-11-16-15/h3-12H,1-2H3/b10-7+.
What are the key properties of 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan?
2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan has a molecular weight of 212.29 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan is sourced from PubChem (CID 100992434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).