Basic information
- CAS
93827-71-5- Standard SMILES
COc1cc(OC)c(OC)c(OC)c1/C=C/C(=O)c1c(O)c(OC)c(OC)c(OC)c1OC- InChIKey
HPTDGVAHRUTYLD-MDZDMXLPSA-N- Molecular formula
- C23H28O10
- Average molar mass
- 464.5 g/mol
- Monoisotopic mass
- 464.16824709
Overview
1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2' and methoxy groups at positions 2, 3, 4, 6, 3', 4', 5' and 6'. It is a member of chalcones, a member of phenols and a member of methoxybenzenes. It is functionally related to a trans-chalcone.
Names & identifiers
- Preferred name
- 1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one
- IUPAC
- (E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one
Names & synonyms
1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one93827-71-5(E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one(2E)-1-(2-hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-oneAC1NSAL6CHEBI:79422DTXSID70418239NSC75342NSC-75342Q27148470
Database identifiers
- CAS
93827-71-5- PubChem CID
- 5357331
- DTXSID
DTXSID70418239- ChEBI
CHEBI:79422- Nikkaji
- J2.790.398C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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