Basic information
- CAS
89018-72-4- Standard SMILES
COc1ccc(CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1O- InChIKey
VSKJIRQJKWAHLR-UHFFFAOYSA-N- Molecular formula
- C18H20O6
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 332.12598835
Names & identifiers
- Preferred name
- 2-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
- IUPAC
- 2-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)ethanone
Names & synonyms
89018-72-4SCHEMBL29066087SCHEMBL30504084DTXSID805559222-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
Database identifiers
- CAS
89018-72-4- PubChem CID
- 14101690
- DTXSID
DTXSID80555922
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…