Anigorufone
Basic information
- CAS
56252-32-5- Standard SMILES
O=C1C(O)=Cc2cccc3ccc(-c4ccccc4)c1c23- InChIKey
ACJJXELQAJQSLK-UHFFFAOYSA-N- Molecular formula
- C19H12O2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.08372962
Overview
Anigorufone is a member of benzenes, a member of naphthalenes and a ring assembly.
Names & identifiers
- Preferred name
- Anigorufone
- IUPAC
- 2-hydroxy-9-phenylphenalen-1-one
- English name
- 2-Hydroxy-9-phenyl-1H-phenalen-1-one
- Molecular formula
- C19H12O2
- Molecular weight
- 272.3
Names & synonyms
Anigorufone2-hydroxy-9-phenyl-1H-phenalen-1-one2-hydroxy-9-phenylphenalen-1-one1H-phenalen-1-one, 2-hydroxy-9-phenyl-2-Hydroxy-9-phenyl-phenalen-1-oneRefChem:112804InChI=1/C19H12O2/c20-16-11-14-8-4-7-13-9-10-15(12-5-2-1-3-6-12)18(17(13)14)19(16)21/h1-11,2056252-32-5orb16898742-hydroxyl-9-phenyl-phenalenoneCHEMBL1163760SCHEMBL25280455
Show more names
SCHEMBL29381381CHEBI:1897982W6992Y8RLDTXSID601291917HY-N82862-oxidanyl-9-phenyl-phenalen-1-oneAKOS028108702DB-323997
Database identifiers
- CAS
56252-32-5- PubChem CID
- 636472
- DTXSID
DTXSID601291917- ChEMBL
CHEMBL1163760- ChEBI
CHEBI:189798- UNII
- 2W6992Y8RL
- Nikkaji
- J11.142B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
Melting Point123 - 125 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 539.2 · 539.2±50.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 7.78 · 7.78±0.20(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesAnigorufone is a natural phenalenone pigment that can be isolated from Anigozanthos rufus[1].
Additional notes
DefinitionChEBI: Anigorufone is a member of naphthalenes, a ring assembly and a member of benzenes.
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Compound notes
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