9-(4-chlorophenyl)phenanthridin-7-ol

C19H12ClNO — CID 137271351

IUPAC9-(4-chlorophenyl)phenanthridin-7-ol
SMILESOc1cc(-c2ccc(Cl)cc2)cc2c1cnc1ccccc12
InChIInChI=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
InChIKeyHSPTYCOERYOHIW-UHFFFAOYSA-N
MW305.76 g/mol
LogP5.41
Rot. Bonds1

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 Name9-(4-chlorophenyl)phenanthridin-7-ol
PubChem CID137271351
Molecular FormulaC19H12ClNO
Molecular Weight305.76 g/mol
Exact Mass305.06
IUPAC Name9-(4-chlorophenyl)phenanthridin-7-ol
SMILESOc1cc(-c2ccc(Cl)cc2)cc2c1cnc1ccccc12
InChIInChI=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
InChIKeyHSPTYCOERYOHIW-UHFFFAOYSA-N
XLogP5.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.76
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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).