9-Hydroxy-alpha-naphthoflavone
Basic information
- CAS
78729-83-6- Standard SMILES
O=c1cc(-c2ccccc2)oc2c1ccc1ccc(O)cc12- InChIKey
PODSTHAFQFMETD-UHFFFAOYSA-N- Molecular formula
- C19H12O3
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.07864424
Overview
metabolite of alpha-naphthoflavone
Names & identifiers
- Preferred name
- 9-Hydroxy-alpha-naphthoflavone
- IUPAC
- 9-hydroxy-2-phenylbenzo[h]chromen-4-one
- English name
- 9-hydroxy-alpha-naphthoflavone
- Molecular formula
- C19H12O3
- Molecular weight
- 288.29678
Names & synonyms
9-Hydroxy-alpha-naphthoflavone78729-83-64H-Naphtho(1,2-b)pyran-4-one, 9-hydroxy-2-phenyl-4H-Naphtho[1,2-b]pyran-4-one, 9-hydroxy-2-phenyl-RefChem:1079469-hydroxy-2-phenyl-4h-benzo[h]chromen-4-oneCHEMBL3295009-Hydroxy-2-phenyl-4H-naphtho[1,2-b]pyran-4-onePNU369SWT5DTXSID70999977BDBM500143199-Hydroxy-2-phenyl-benzo[h]chromen-4-one
Database identifiers
- CAS
78729-83-6- PubChem CID
- 132907
- DTXSID
DTXSID70999977- ChEMBL
CHEMBL329500- UNII
- PNU369SWT5
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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