Basic information
- CAS
85211-65-0- Standard SMILES
CC(=O)Oc1c(C)c(C)c(O)c(C)c1CC(=O)c1ccccc1- InChIKey
KAEXAUGHUYWMLE-UHFFFAOYSA-N- Molecular formula
- C19H20O4
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.13615911
Names & identifiers
- Preferred name
- Ethanone, 2-(2-(acetyloxy)-5-hydroxy-3,4,6-trimethylphenyl)-1-phenyl-
- IUPAC
- (4-hydroxy-2,3,5-trimethyl-6-phenacylphenyl) acetate
Names & synonyms
BRN 4760355Ethanone, 2-(2-(acetyloxy)-5-hydroxy-3,4,6-trimethylphenyl)-1-phenyl-85211-65-02-(2-(Acetyloxy)-5-hydroxy-3,4,6-trimethylphenyl)-1-phenylethanoneDTXSID40234423RefChem:341362DTXCID401569144-Hydroxy-2,3,5-trimethyl-6-(2-oxo-2-phenylethyl)phenyl acetate
Database identifiers
- CAS
85211-65-0- PubChem CID
- 3069799
- DTXSID
DTXSID40234423
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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