About 2-(2-phenylphenyl)benzaldehyde
2-(2-phenylphenyl)benzaldehyde (PubChem CID 11322869) has the molecular formula C19H14O
and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-phenylphenyl)benzaldehyde.
Molecular Properties
| Compound Name | 2-(2-phenylphenyl)benzaldehyde |
| PubChem CID | 11322869 |
| Molecular Formula | C19H14O |
| Molecular Weight | 258.32 g/mol |
| Exact Mass | 258.10 |
| IUPAC Name | 2-(2-phenylphenyl)benzaldehyde |
| SMILES | O=Cc1ccccc1-c1ccccc1-c1ccccc1 |
| InChI | InChI=1S/C19H14O/c20-14-16-10-4-5-12-18(16)19-13-7-6-11-17(19)15-8-2-1-3-9-15/h1-14H |
| InChIKey | MQTKRIANSTUCCW-UHFFFAOYSA-N |
| XLogP | 4.83 |
| TPSA | 17.07 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 258.32 |
| LogP ≤ 5 | 4.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
Analyze 2-(2-phenylphenyl)benzaldehyde 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-phenylphenyl)benzaldehyde?
The IUPAC name of 2-(2-phenylphenyl)benzaldehyde (CID 11322869) is 2-(2-phenylphenyl)benzaldehyde.
What is the SMILES notation for 2-(2-phenylphenyl)benzaldehyde?
The canonical SMILES for 2-(2-phenylphenyl)benzaldehyde is O=Cc1ccccc1-c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylphenyl)benzaldehyde?
The InChIKey is MQTKRIANSTUCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O/c20-14-16-10-4-5-12-18(16)19-13-7-6-11-17(19)15-8-2-1-3-9-15/h1-14H.
What are the key properties of 2-(2-phenylphenyl)benzaldehyde?
2-(2-phenylphenyl)benzaldehyde has a molecular weight of 258.32 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)benzaldehyde is sourced from PubChem (CID 11322869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).