9-[4-(Dimethylamino)phenyl]-2,6,7-trihydroxy-3h-xanthen-3-one

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Basic information

CAS: 6098-86-8
Standard SMILES: CN(C)c1ccc(-c2c3cc(O)c(=O)cc-3oc3cc(O)c(O)cc23)cc1
InChIKey: JLQIGMKUPIXLLP-UHFFFAOYSA-N
Molecular formula: C21H17NO5
Average molar mass: 363.4 g/mol
Monoisotopic mass: 363.11067264

Names & identifiers

Preferred name: 9-[4-(Dimethylamino)phenyl]-2,6,7-trihydroxy-3h-xanthen-3-one
IUPAC: 9-[4-(dimethylamino)phenyl]-2,6,7-trihydroxyxanthen-3-one
English name: 9-(4-dimethylaminophenyl)-2,6,7-trihydroxy-xanthen-3-one
Molecular formula: C21H17NO5
Molecular weight: 363.36

Names & synonyms

6098-86-89-[4-(dimethylamino)phenyl]-2,6,7-trihydroxy-3h-xanthen-3-oneCHEMBL1873709-[4-(DIMETHYLAMINO)PHENYL]-2,6,7-TRIHYDROXYXANTHEN-3-ONE9-(4-dimethylaminophenyl)-2,6,7-trihydroxy-xanthen-3-one9-(4-(dimethylamino)phenyl)-2,6,7-trihydroxy-3H-xanthen-3-oneNSC80693CBMicro_047276SCHEMBL19636311DTXSID60976459BDBM50153010NSC-80693

Show more names

3H-Xanthen-3-one, 9-[4-(dimethylamino)phenyl]-2,6,7-trihydroxy-

BIM-0047280.P001AB00089428-019-DIMETHYLAMINOPHENYL-2,3,7-TRIHYDROXY-6-FLUORONE9-(4-Dimethylamino-phenyl)-2,6,7-trihydroxy-xanthen-3-one

Database identifiers

CAS: 6098-86-8
PubChem CID: 255296
DTXSID: DTXSID60976459
ChEMBL: CHEMBL187370
Nikkaji: J253.132A

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 90.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 27
Formal charge: 0
Complexity: 714

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Compound notes

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