4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one

C15H9Cl3N2O — CID 4527291

IUPAC4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one
SMILESCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c2ccccc12
InChIInChI=1S/C15H9Cl3N2O/c1-8-10-4-2-3-5-11(10)15(21)20(19-8)14-12(17)6-9(16)7-13(14)18/h2-7H,1H3
InChIKeyAJBIILVCGGKXBR-UHFFFAOYSA-N
MW339.61 g/mol
LogP4.65
Rot. Bonds1

About 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one

4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one (PubChem CID 4527291) has the molecular formula C15H9Cl3N2O and a molecular weight of 339.61 g/mol. Its IUPAC name is 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one.

Molecular Properties

Compound Name4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one
PubChem CID4527291
Molecular FormulaC15H9Cl3N2O
Molecular Weight339.61 g/mol
Exact Mass337.98
IUPAC Name4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one
SMILESCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c2ccccc12
InChIInChI=1S/C15H9Cl3N2O/c1-8-10-4-2-3-5-11(10)15(21)20(19-8)14-12(17)6-9(16)7-13(14)18/h2-7H,1H3
InChIKeyAJBIILVCGGKXBR-UHFFFAOYSA-N
XLogP4.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.61
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one?
The IUPAC name of 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one (CID 4527291) is 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one.
What is the SMILES notation for 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one?
The canonical SMILES for 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one is Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c2ccccc12.
What is the InChIKey of 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one?
The InChIKey is AJBIILVCGGKXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2O/c1-8-10-4-2-3-5-11(10)15(21)20(19-8)14-12(17)6-9(16)7-13(14)18/h2-7H,1H3.
What are the key properties of 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one?
4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one has a molecular weight of 339.61 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,4,6-trichlorophenyl)phthalazin-1-one is sourced from PubChem (CID 4527291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).