1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one

C15H10Cl3NO2 — CID 155510931

IUPAC1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one
SMILESO=c1c2ccc(OCCCl)cc2[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C15H10Cl3NO2/c16-5-6-21-8-1-2-9-12(7-8)19-11-4-3-10(17)14(18)13(11)15(9)20/h1-4,7H,5-6H2,(H,19,20)
InChIKeyAFSPUHSEXZHDDK-UHFFFAOYSA-N
MW342.61 g/mol
LogP4.61
Rot. Bonds3

About 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one

1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one (PubChem CID 155510931) has the molecular formula C15H10Cl3NO2 and a molecular weight of 342.61 g/mol. Its IUPAC name is 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one.

Molecular Properties

Compound Name1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one
PubChem CID155510931
Molecular FormulaC15H10Cl3NO2
Molecular Weight342.61 g/mol
Exact Mass340.98
IUPAC Name1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one
SMILESO=c1c2ccc(OCCCl)cc2[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C15H10Cl3NO2/c16-5-6-21-8-1-2-9-12(7-8)19-11-4-3-10(17)14(18)13(11)15(9)20/h1-4,7H,5-6H2,(H,19,20)
InChIKeyAFSPUHSEXZHDDK-UHFFFAOYSA-N
XLogP4.61
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.61
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one?
The IUPAC name of 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one (CID 155510931) is 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one.
What is the SMILES notation for 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one?
The canonical SMILES for 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one is O=c1c2ccc(OCCCl)cc2[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one?
The InChIKey is AFSPUHSEXZHDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO2/c16-5-6-21-8-1-2-9-12(7-8)19-11-4-3-10(17)14(18)13(11)15(9)20/h1-4,7H,5-6H2,(H,19,20).
What are the key properties of 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one?
1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one has a molecular weight of 342.61 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-6-(2-chloroethoxy)-10H-acridin-9-one is sourced from PubChem (CID 155510931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).