Basic information
- CAS
151703-85-4- Standard SMILES
COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1- InChIKey
TVKGYMYAOVADOP-SOFGYWHQSA-N- Molecular formula
- C20H22O6
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.14163842
Names & identifiers
- Preferred name
- 3,4,2',4',6'-Pentamethoxychalcone
- IUPAC
- (E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
Names & synonyms
76650-20-93,4,2',4',6'-PENTAMETHOXYCHALCONENSC75527(E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-oneNSC-755273-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-oneMLS002693942QQP9AJ7CLBCompound NP-010025SCHEMBL634105MEGxp0_001766orb3172068
Show more names
CHEMBL3416017ACon1_000162AKOS0305396172',4',6',3,4-Pentamethoxychalcone3,4,2',4',6'- pentamethoxychalconeNCGC00180821-01ST0836532',4',6',3,4-Pentamethoxy-, chalcone
Database identifiers
- CAS
151703-85-4、76650-20-9- PubChem CID
- 5352007
- ChEMBL
CHEMBL3416017- UNII
- QQP9AJ7CLB
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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