Basic information
- CAS
61777-22-8- Standard SMILES
COc1cc(OC)c(C(=O)C=Cc2ccc(O)cc2)c(OC)c1- InChIKey
ZWNLSRDFHQCTQW-UHFFFAOYSA-N- Molecular formula
- C18H18O5
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.11542367
Overview
4-Hydroxy-2',4',6'-trimethoxychalcone has been reported in Vitex tripinnata with data available.
Names & identifiers
- Preferred name
- 4-Hydroxy-2',4',6'-trimethoxychalcone
- IUPAC
- 3-(4-hydroxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Names & synonyms
61777-22-8DTXSID203985324-HYDROXY-2',4',6'-TRIMETHOXYCHALCONERefChem:1070740DTXCID103493913-(4-hydroxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one2-Propen-1-one, 3-(4-hydroxyphenyl)-1-(2,4,6-trimethoxyphenyl)-SCHEMBL633184
Database identifiers
- CAS
61777-22-8- PubChem CID
- 4013485
- DTXSID
DTXSID20398532
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…