2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione
Basic information
- CAS
6629-19-2- Standard SMILES
CN(C)c1ccc(C(O)C2=CC(=O)c3ccccc3C2=O)cc1- InChIKey
SOHBBNNFCYTYIL-UHFFFAOYSA-N- Molecular formula
- C19H17NO3
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.1208434
Names & identifiers
- Preferred name
- 2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione
- IUPAC
- 2-[[4-(dimethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione
Names & synonyms
6629-19-22-{[4-(dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dioneNSC58011NCIOpen2_007466DTXSID40288901NSC-58011DS-0127052-[(4-dimethylaminophenyl)-hydroxy-methyl]naphthalene-1,4-dione
Database identifiers
- CAS
6629-19-2- PubChem CID
- 245772
- DTXSID
DTXSID40288901
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 503
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Compound notes
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