About 4-(4-prop-2-enylphenoxy)phenol
4-(4-prop-2-enylphenoxy)phenol (PubChem CID 141330239) has the molecular formula C15H14O2
and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(4-prop-2-enylphenoxy)phenol.
Molecular Properties
| Compound Name | 4-(4-prop-2-enylphenoxy)phenol |
| PubChem CID | 141330239 |
| Molecular Formula | C15H14O2 |
| Molecular Weight | 226.27 g/mol |
| Exact Mass | 226.10 |
| IUPAC Name | 4-(4-prop-2-enylphenoxy)phenol |
| SMILES | C=CCc1ccc(Oc2ccc(O)cc2)cc1 |
| InChI | InChI=1S/C15H14O2/c1-2-3-12-4-8-14(9-5-12)17-15-10-6-13(16)7-11-15/h2,4-11,16H,1,3H2 |
| InChIKey | DTGQGKFWEDRNRK-UHFFFAOYSA-N |
| XLogP | 3.91 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.27 |
| LogP ≤ 5 | 3.91 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-(4-prop-2-enylphenoxy)phenol?
The IUPAC name of 4-(4-prop-2-enylphenoxy)phenol (CID 141330239) is 4-(4-prop-2-enylphenoxy)phenol.
What is the SMILES notation for 4-(4-prop-2-enylphenoxy)phenol?
The canonical SMILES for 4-(4-prop-2-enylphenoxy)phenol is C=CCc1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of 4-(4-prop-2-enylphenoxy)phenol?
The InChIKey is DTGQGKFWEDRNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-3-12-4-8-14(9-5-12)17-15-10-6-13(16)7-11-15/h2,4-11,16H,1,3H2.
What are the key properties of 4-(4-prop-2-enylphenoxy)phenol?
4-(4-prop-2-enylphenoxy)phenol has a molecular weight of 226.27 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-2-enylphenoxy)phenol is sourced from PubChem (CID 141330239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).