About 9-(4-chlorophenyl)phenanthridin-7-ol
9-(4-chlorophenyl)phenanthridin-7-ol (PubChem CID 137271351) has the molecular formula C19H12ClNO
and a molecular weight of 305.76 g/mol. Its IUPAC name is 9-(4-chlorophenyl)phenanthridin-7-ol.
Molecular Properties
| Compound Name | 9-(4-chlorophenyl)phenanthridin-7-ol |
| PubChem CID | 137271351 |
| Molecular Formula | C19H12ClNO |
| Molecular Weight | 305.76 g/mol |
| Exact Mass | 305.06 |
| IUPAC Name | 9-(4-chlorophenyl)phenanthridin-7-ol |
| SMILES | Oc1cc(-c2ccc(Cl)cc2)cc2c1cnc1ccccc12 |
| InChI | InChI=1S/C19H12ClNO/c20-14-7-5-12(6-8-14)13-9-16-15-3-1-2-4-18(15)21-11-17(16)19(22)10-13/h1-11,22H |
| InChIKey | HSPTYCOERYOHIW-UHFFFAOYSA-N |
| XLogP | 5.41 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 305.76 |
| LogP ≤ 5 | 5.41 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-(4-chlorophenyl)phenanthridin-7-ol?
The IUPAC name of 9-(4-chlorophenyl)phenanthridin-7-ol (CID 137271351) is 9-(4-chlorophenyl)phenanthridin-7-ol.
What is the SMILES notation for 9-(4-chlorophenyl)phenanthridin-7-ol?
The canonical SMILES for 9-(4-chlorophenyl)phenanthridin-7-ol is Oc1cc(-c2ccc(Cl)cc2)cc2c1cnc1ccccc12.
What is the InChIKey of 9-(4-chlorophenyl)phenanthridin-7-ol?
The InChIKey is HSPTYCOERYOHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO/c20-14-7-5-12(6-8-14)13-9-16-15-3-1-2-4-18(15)21-11-17(16)19(22)10-13/h1-11,22H.
What are the key properties of 9-(4-chlorophenyl)phenanthridin-7-ol?
9-(4-chlorophenyl)phenanthridin-7-ol has a molecular weight of 305.76 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)phenanthridin-7-ol is sourced from PubChem (CID 137271351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).