Basic information
- CAS
72666-14-9- Standard SMILES
O=C(CCc1ccc(O)c(O)c1)c1ccc(O)c(O)c1O- InChIKey
CISQVWHIYYYZMR-UHFFFAOYSA-N- Molecular formula
- C15H14O6
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.07903816
Names & identifiers
- Preferred name
- 3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone
- IUPAC
- 3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)propan-1-one
- English name
- 2',3',4',3,4-PENTAHYDROXYDIHYDROCHALCONE
- Molecular formula
- C15H14O6
- Molecular weight
- 290.27
Names & synonyms
72666-14-93-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-1-propanone3-(3,4-Dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)propan-1-oneNSC309121NSC-3091212',3',4',3,4-PENTAHYDROXYDIHYDROCHALCONEYJG86SC2Q7CHEMBL670761-Propanone, 3-(3,4-dihydroxyphenyl)-1-(2,3,4-trihydroxyphenyl)-KALMIA LATIFOLIA, FROM (B668072 - A DIHYDROCHALCONE)NSC 309121UNII-YJG86SC2Q7
Show more names
DIHYDRO-OKANIN
Dihydrochalcone from Kalmia latifolia B668072SCHEMBL20683045DTXSID70222979BDBM50088349FP157183NCI60_0026502'',3,3'',4,4''-pentahydroxychalcone3-(3,3,4-trihydroxy phenyl)propan-1-one
Database identifiers
- CAS
72666-14-9- PubChem CID
- 73059
- DTXSID
DTXSID70222979- ChEMBL
CHEMBL67076- UNII
- YJG86SC2Q7
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- FDA UNII
- 86 SC2Q7 · YJG86SC2Q7
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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