About 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol
4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol (PubChem CID 10013901) has the molecular formula C15H15NO
and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol.
Molecular Properties
| Compound Name | 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol |
| PubChem CID | 10013901 |
| Molecular Formula | C15H15NO |
| Molecular Weight | 225.29 g/mol |
| Exact Mass | 225.12 |
| IUPAC Name | 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol |
| SMILES | CNc1ccc(/C=C/c2ccc(O)cc2)cc1 |
| InChI | InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+ |
| InChIKey | ZWIARAQZLULYPG-NSCUHMNNSA-N |
| XLogP | 3.60 |
| TPSA | 32.26 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.29 |
| LogP ≤ 5 | 3.60 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol (CID 10013901) is 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol is CNc1ccc(/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol?
The InChIKey is ZWIARAQZLULYPG-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H15NO/c1-16-14-8-4-12(5-9-14)2-3-13-6-10-15(17)11-7-13/h2-11,16-17H,1H3/b3-2+.
What are the key properties of 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol?
4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol has a molecular weight of 225.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(methylamino)phenyl]ethenyl]phenol is sourced from PubChem (CID 10013901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).