4-chloro-9-phenoxyacridine

C19H12ClNO — CID 71390850

IUPAC4-chloro-9-phenoxyacridine
SMILESClc1cccc2c(Oc3ccccc3)c3ccccc3nc12
InChIInChI=1S/C19H12ClNO/c20-16-11-6-10-15-18(16)21-17-12-5-4-9-14(17)19(15)22-13-7-2-1-3-8-13/h1-12H
InChIKeyLPBSCIWOIZOMPF-UHFFFAOYSA-N
MW305.76 g/mol
LogP5.83
Rot. Bonds2

About 4-chloro-9-phenoxyacridine

4-chloro-9-phenoxyacridine (PubChem CID 71390850) has the molecular formula C19H12ClNO and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-chloro-9-phenoxyacridine.

Molecular Properties

Compound Name4-chloro-9-phenoxyacridine
PubChem CID71390850
Molecular FormulaC19H12ClNO
Molecular Weight305.76 g/mol
Exact Mass305.06
IUPAC Name4-chloro-9-phenoxyacridine
SMILESClc1cccc2c(Oc3ccccc3)c3ccccc3nc12
InChIInChI=1S/C19H12ClNO/c20-16-11-6-10-15-18(16)21-17-12-5-4-9-14(17)19(15)22-13-7-2-1-3-8-13/h1-12H
InChIKeyLPBSCIWOIZOMPF-UHFFFAOYSA-N
XLogP5.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.76
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-9-phenoxyacridine?
The IUPAC name of 4-chloro-9-phenoxyacridine (CID 71390850) is 4-chloro-9-phenoxyacridine.
What is the SMILES notation for 4-chloro-9-phenoxyacridine?
The canonical SMILES for 4-chloro-9-phenoxyacridine is Clc1cccc2c(Oc3ccccc3)c3ccccc3nc12.
What is the InChIKey of 4-chloro-9-phenoxyacridine?
The InChIKey is LPBSCIWOIZOMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO/c20-16-11-6-10-15-18(16)21-17-12-5-4-9-14(17)19(15)22-13-7-2-1-3-8-13/h1-12H.
What are the key properties of 4-chloro-9-phenoxyacridine?
4-chloro-9-phenoxyacridine has a molecular weight of 305.76 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-9-phenoxyacridine is sourced from PubChem (CID 71390850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).