Basic information
- CAS
861107-94-0- Standard SMILES
COc1cc(O)c(C(=O)/C=C/c2ccc(C)cc2)c(OC)c1- InChIKey
PWVBSDQARMAGHJ-CMDGGOBGSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 4',6'-Dimethoxy-2'-hydroxy-4-methylchalcone
- IUPAC
- (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
Names & synonyms
4',6'-DIMETHOXY-2'-HYDROXY-4-METHYLCHALCONESCHEMBL744395CHEMBL610055DTXSID301370724(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-oneAKOS024287184(2E)-1-(2-HYDROXY-4,6-DIMETHOXYPHENYL)-3-(4-METHYLPHENYL)PROP-2-EN-1-ONEST0989434',6'-Dimethoxy-2'-hydroxy-4-methylchalcone, AldrichCPR(2E)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methylphenyl)-2-propen-1-one861107-94-0
Database identifiers
- CAS
861107-94-0- PubChem CID
- 5961745
- DTXSID
DTXSID301370724- ChEMBL
CHEMBL610055- Nikkaji
- J2.613.387D、J3.169.874J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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