Basic information
- CAS
93517-75-0- Standard SMILES
Cc1ccc(-c2n[nH]c(=O)c3ccccc23)c(C)c1- InChIKey
VPXCBMLQCAPFLY-UHFFFAOYSA-N- Molecular formula
- C16H14N2O
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.11061307
Overview
4-(2,4-dimethylphenyl)-2H-phthalazin-1-one is a ring assembly and a member of pyridazines.
Names & identifiers
- Preferred name
- 4-(2,4-Dimethylphenyl)-1(2H)-phthalazinone
- IUPAC
- 4-(2,4-dimethylphenyl)-2H-phthalazin-1-one
Names & synonyms
93517-75-04-(2,4-Dimethylphenyl)-1(2H)-phthalazinoneRefChem:2869094-(2,4-dimethylphenyl)-2H-phthalazin-1-one4-(2,4-Dimethylphenyl)phthalazin-1(2H)-one4-(2,4-Dimethyl-phenyl)-2H-phthalazin-1-oneMLS001206954CHEMBL1702519CHEBI:107187DTXSID201265790HMS2848I16AKOS000521599
Show more names
CCG-317606SMR000523395ST451683264-(2,4-dimethylphenyl)-2-hydrophthalazin-1-oneQ27185246
Database identifiers
- CAS
93517-75-0- PubChem CID
- 890907
- DTXSID
DTXSID201265790- ChEMBL
CHEMBL1702519- ChEBI
CHEBI:107187
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Experimental & physicochemical properties
LogP3.41
Solubility2.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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