Basic information
- CAS
90509-05-0- Standard SMILES
C=C(C)/C=C/c1c(OC)ccc2c1OC(c1ccccc1)CC2=O- InChIKey
KBXVDKBRENFYNS-MDZDMXLPSA-N- Molecular formula
- C21H20O3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.1412445
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-8-(3-methyl-1-3-butadienyl)-2-phenyl-
- IUPAC
- 7-methoxy-8-[(1E)-3-methylbuta-1,3-dienyl]-2-phenyl-2,3-dihydrochromen-4-one
Names & synonyms
4H-1-Benzopyran-4-one, 2,3-dihydro-7-methoxy-8-(3-methyl-1-3-butadienyl)-2-phenyl-90509-05-0
Database identifiers
- CAS
90509-05-0- PubChem CID
- 6442979
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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