2-Hydroxyxanthone

HCID 74708

Notes Reactions

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Basic information

CAS: 1915-98-6
Standard SMILES: O=c1c2ccccc2oc2ccc(O)cc12
InChIKey: WSACHQJPCNOREV-UHFFFAOYSA-N
Molecular formula: C13H8O3
Average molar mass: 212.2 g/mol
Monoisotopic mass: 212.04734411

Names & identifiers

Preferred name: 2-Hydroxyxanthone
IUPAC: 2-hydroxyxanthen-9-one
English name: 2-Hydroxy-9H-9-xanthenone
Molecular formula: C13H8O3
Molecular weight: 212.2

Names & synonyms

2-Hydroxyxanthone1915-98-62-Hydroxy-9H-xanthen-9-one9H-XANTHEN-9-ONE, 2-HYDROXY-DTXSID60172676RefChem:1063468DTXCID10951672-hydroxyxanthen-9-one2-hydroxy-9H-9-xanthenone2-Hydroxy-xanthen-9-oneCHEMBL185960MFCD01313127

Show more names

9H-Xanthen-9-one, 2-hydroxy2-hydroxyxanthen-9-one - [AC78051]

Xanthen-9-one, 2-hydroxy-KBio2_003149Spectrum_0001212-hydroxy-9-xanthenoneSpectrum2_001722Spectrum3_001190Spectrum4_001616Spectrum5_000371

Database identifiers

CAS: 1915-98-6
PubChem CID: 74708
DTXSID: DTXSID60172676
ChEMBL: CHEMBL185960
ChEBI: CHEBI:108579
Nikkaji: J130.933A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 289

Experimental & physicochemical properties

Melting Point241 - 241.5 °C

Physical DescriptionSolid

Collision Cross Section137.06 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point: 235 · 235-236 °C
Boiling point: 411.2 · 411.2±24.0 °C(Predicted)
Density: 1.395 · 1.395±0.06 g/cm3(Predicted)
pka: 9.33 · 9.33±0.20(Predicted)
HS Code: 2932990090 · 2932990090

Safety & regulation

Safety data

hs_code: 2932990090

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

Uses2-Hydroxyxanthone (Compound 3) is an isoprene flavone derived from Calophyllum inophyllum. 2-Hydroxyxanthone has an obvious killing effect on K562 cells [1].