About 5,5,5-triphenylpentan-1-ol
5,5,5-triphenylpentan-1-ol (PubChem CID 618235) has the molecular formula C23H24O
and a molecular weight of 316.44 g/mol. Its IUPAC name is 5,5,5-triphenylpentan-1-ol.
Molecular Properties
| Compound Name | 5,5,5-triphenylpentan-1-ol |
| PubChem CID | 618235 |
| Molecular Formula | C23H24O |
| Molecular Weight | 316.44 g/mol |
| Exact Mass | 316.18 |
| IUPAC Name | 5,5,5-triphenylpentan-1-ol |
| SMILES | OCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H24O/c24-19-11-10-18-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,24H,10-11,18-19H2 |
| InChIKey | HGEHMQZCLUYQKS-UHFFFAOYSA-N |
| XLogP | 5.18 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 316.44 |
| LogP ≤ 5 | 5.18 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 5,5,5-triphenylpentan-1-ol?
The IUPAC name of 5,5,5-triphenylpentan-1-ol (CID 618235) is 5,5,5-triphenylpentan-1-ol.
What is the SMILES notation for 5,5,5-triphenylpentan-1-ol?
The canonical SMILES for 5,5,5-triphenylpentan-1-ol is OCCCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5,5-triphenylpentan-1-ol?
The InChIKey is HGEHMQZCLUYQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O/c24-19-11-10-18-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,24H,10-11,18-19H2.
What are the key properties of 5,5,5-triphenylpentan-1-ol?
5,5,5-triphenylpentan-1-ol has a molecular weight of 316.44 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-triphenylpentan-1-ol is sourced from PubChem (CID 618235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).