Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC=CC(=O)Cc1cc(O)cc(O)c1- InChIKey
LDLJTNUMBIHJTA-UHFFFAOYSA-N- Molecular formula
- C27H44O3
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.32904527
Overview
1-(3,5-dihydroxyphenyl)henicos-3-en-2-one has been reported in Secale cereale and Triticum aestivum with data available.
Names & identifiers
- Preferred name
- 1-(3,5-Dihydroxyphenyl)henicos-3-en-2-one
- IUPAC
- 1-(3,5-dihydroxyphenyl)henicos-3-en-2-one
Names & synonyms
SCHEMBL27662922
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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