Basic information
- Standard SMILES
COc1cc(C=C2OC(C)=CC2=O)ccc1O- InChIKey
IJKPVUGDJJFSQF-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-3-methoxy-benzylidene)-5-methyl-furan-3-one
- IUPAC
- 2-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-methylfuran-3-one
Names & synonyms
SCHEMBL1502468SCHEMBL30039225IJKPVUGDJJFSQF-UHFFFAOYSA-N2-(4-Hydroxy-3-methoxy-benzylidene)-5-methyl-furan-3-one
Database identifiers
- PubChem CID
- 67055853
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 370
Related reactions
2 records
Compound notes
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