Basic information
- CAS
88952-27-6- Standard SMILES
CC(=O)c1cc(C)c(C)cc1OC(=O)c1ccccc1C- InChIKey
MFLMXRZOFOLYJV-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- 2-Acetyl-4,5-dimethylphenyl 2-methylbenzoate
- IUPAC
- (2-acetyl-4,5-dimethylphenyl) 2-methylbenzoate
Names & synonyms
88952-27-62-Acetyl-4,5-dimethylphenyl 2-methylbenzoateDTXSID80526031
Database identifiers
- CAS
88952-27-6- PubChem CID
- 13190830
- DTXSID
DTXSID80526031
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…