2-Hydroxy-3-[(3-hydroxy-1,4-dioxo-2-naphthyl)-phenyl-methyl]naphthalene-1,4-dione
Basic information
- CAS
106823-05-6- Standard SMILES
O=C1C(=O)c2ccccc2C(O)=C1C(C1=C(O)c2ccccc2C(=O)C1=O)c1ccccc1- InChIKey
SADTWONCFKJBPO-UHFFFAOYSA-N- Molecular formula
- C27H16O6
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.09468823
Names & identifiers
- Preferred name
- 2-Hydroxy-3-[(3-hydroxy-1,4-dioxo-2-naphthyl)-phenyl-methyl]naphthalene-1,4-dione
- IUPAC
- 4-hydroxy-3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)-phenylmethyl]naphthalene-1,2-dione
Names & synonyms
NSC92202106823-05-63,3'-(phenylmethylene)bis(2-hydroxynaphthalene-1,4-dione)DTXSID90910129BDBM2465912-hydroxy-3-[(3-hydroxy-1,4-dioxo-2-naphthyl)-phenyl-methyl]naphthalene-1,4-dione3,3'-(Phenylmethylene)bis(2-hydroxy-1,4-naphthalenedione)3,3'-(Phenylmethylene)bis(4-hydroxynaphthalene-1,2-dione)
Database identifiers
- CAS
106823-05-6- PubChem CID
- 260641
- DTXSID
DTXSID90910129- ChEMBL
CHEMBL83651- Nikkaji
- J751.382H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 882
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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