Basic information
- CAS
502936-39-2- Standard SMILES
Cc1ccc(-c2nn(CCO)c(=O)c3ccccc23)cc1C- InChIKey
AGACLAZOCFAYCF-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.13682782
Names & identifiers
- Preferred name
- 4-(3,4-Dimethylphenyl)-2-(2-hydroxyethyl)phthalazin-1-one
- IUPAC
- 4-(3,4-dimethylphenyl)-2-(2-hydroxyethyl)phthalazin-1-one
Names & synonyms
502936-39-24-(3,4-dimethylphenyl)-2-(2-hydroxyethyl)phthalazin-1-oneZINC001439734-(3,4-Dimethylphenyl)-2-(2-hydroxyethyl)phthalazin-1(2H)-one4-(3,4-dimethylphenyl)-2-(2-hydroxyethyl)-1,2-dihydrophthalazin-1-oneMaybridge4_000854Oprea1_333320DTXSID60384494HMS1523G18CCG-241963IDI1_031436
Database identifiers
- CAS
502936-39-2- PubChem CID
- 2806473
- DTXSID
DTXSID60384494
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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