About 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol (PubChem CID 166436804) has the molecular formula C17H18O
and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol.
Molecular Properties
| Compound Name | 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol |
| PubChem CID | 166436804 |
| Molecular Formula | C17H18O |
| Molecular Weight | 238.33 g/mol |
| Exact Mass | 238.14 |
| IUPAC Name | 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol |
| SMILES | CC(C)(O)c1ccccc1/C=C/c1ccccc1 |
| InChI | InChI=1S/C17H18O/c1-17(2,18)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-13,18H,1-2H3/b13-12+ |
| InChIKey | GVGPZIJTQDECIU-OUKQBFOZSA-N |
| XLogP | 4.08 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.33 |
| LogP ≤ 5 | 4.08 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
|---|
Analyze 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol (CID 166436804) is 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1/C=C/c1ccccc1.
What is the InChIKey of 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol?
The InChIKey is GVGPZIJTQDECIU-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H18O/c1-17(2,18)16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-13,18H,1-2H3/b13-12+.
What are the key properties of 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol?
2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol is sourced from PubChem (CID 166436804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).