4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl-
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Basic information
- CAS
80155-01-7- Standard SMILES
COc1c(O)c2c(c(OC)c1OC)C(=O)CC(c1ccccc1)O2- InChIKey
OHMCJAVUWDAGRU-UHFFFAOYSA-N- Molecular formula
- C18H18O6
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.11033829
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl-
- IUPAC
- 8-hydroxy-5,6,7-trimethoxy-2-phenyl-2,3-dihydrochromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl -
- Molecular weight
- 0
Names & synonyms
Kwangsienin A80155-01-78-Hydroxy-5,6,7-trimethoxy-2-phenylchroman-4-one158848-28-38-hydroxy-5,6,7-trimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl-DTXSID501001036LMPK121406818-Hydroxy-5,6,7-trimethoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-8-hydroxy-5,6,7-trimethoxy-2-phenyl -
Database identifiers
- CAS
80155-01-7- PubChem CID
- 157606
- DTXSID
DTXSID501001036
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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