2,5-Dimethoxy-2'-hydroxy-5'-methylchalcone
Basic information
- Standard SMILES
COc1ccc(OC)c(/C=C/C(=O)c2cc(C)ccc2O)c1- InChIKey
QILNEUAGOJMVCC-VMPITWQZSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-2'-hydroxy-5'-methylchalcone
- IUPAC
- (E)-3-(2,5-dimethoxyphenyl)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
Names & synonyms
2,5-DIMETHOXY-2'-HYDROXY-5'-METHYLCHALCONESCHEMBL5431311QILNEUAGOJMVCC-VMPITWQZSA-NDTXSID2013706762,5-Dimethoxy-2'-hydroxy-5'-methylchalcone, AldrichCPR2-Propen-1-one, 3-(2,5-dimethoxyphenyl)-1-(2-hydroxy-5-methylphenyl)-
Database identifiers
- PubChem CID
- 7729072
- DTXSID
DTXSID201370676
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
- 393
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Related reactions
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Compound notes
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