Basic information
- Standard SMILES
COc1ccc(C(=O)C=Cc2ccc3c(c2)OCO3)cc1OC- InChIKey
FBXJBLNGPPHWDT-UHFFFAOYSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
Names & identifiers
- Preferred name
- 3',4'-Dimethoxy-3,4-methylenedioxychalcone
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
Names & synonyms
MLS003106454CBMicro_027738CHEMBL1985995FBXJBLNGPPHWDT-UHFFFAOYSA-NSMR0018213573',4'-Dimethoxy-3,4-methylenedioxychalcone
Database identifiers
- PubChem CID
- 291728
- ChEMBL
CHEMBL1985995
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Compound notes
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