About 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol
4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol (PubChem CID 5282240) has the molecular formula C15H14O2
and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol.
Molecular Properties
| Compound Name | 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol |
| PubChem CID | 5282240 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.28 g/mol |
| Exact Mass | 226.10 |
| IUPAC Name | 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol |
| SMILES | C/C(=C\c1ccc(O)cc1)c1ccc(O)cc1 |
| InChI | InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+ |
| InChIKey | PMNXCGMIMVLCRP-ZHACJKMWSA-N |
| XLogP | 3.66 |
| TPSA | 40.46 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.28 |
| LogP ≤ 5 | 3.66 |
| 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-hydroxyphenyl)prop-1-enyl]phenol?
The IUPAC name of 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol (CID 5282240) is 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol?
The canonical SMILES for 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol is C/C(=C\c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol?
The InChIKey is PMNXCGMIMVLCRP-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+.
What are the key properties of 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol?
4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol has a molecular weight of 226.28 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol is sourced from PubChem (CID 5282240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).