4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one

C15H10Cl2N2O — CID 1480456

IUPAC4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(20)19-18-14/h1-6,8H,7H2,(H,19,20)
InChIKeyZDMWDTNIEOVGRF-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.82
Rot. Bonds2

About 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one

4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one (PubChem CID 1480456) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one
PubChem CID1480456
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(20)19-18-14/h1-6,8H,7H2,(H,19,20)
InChIKeyZDMWDTNIEOVGRF-UHFFFAOYSA-N
XLogP3.82
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one (CID 1480456) is 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one is O=c1[nH]nc(Cc2ccc(Cl)cc2Cl)c2ccccc12.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one?
The InChIKey is ZDMWDTNIEOVGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(20)19-18-14/h1-6,8H,7H2,(H,19,20).
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one?
4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one has a molecular weight of 305.16 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 1480456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).