Basic information
- Standard SMILES
CC#COc1ccc(-c2coc3cc(OC#CC)ccc3c2=O)cc1- InChIKey
DGKKRUZRRZETPY-UHFFFAOYSA-N- Molecular formula
- C21H14O4
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.08920892
Names & identifiers
- Preferred name
- 7,4'-Dipropynyloxyisoflavone
- IUPAC
- 7-prop-1-ynoxy-3-(4-prop-1-ynoxyphenyl)chromen-4-one
Names & synonyms
7,4'-dipropynyloxyisoflavoneSCHEMBL7041317DGKKRUZRRZETPY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 18171840
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 657
Related reactions
1 records
Compound notes
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