Basic information
- CAS
88952-28-7- Standard SMILES
CC(=O)c1cc(C)c(C)cc1OC(=O)c1ccc(C)cc1- InChIKey
SAHUWTOZRQMXCO-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 4-methylbenzoate
- IUPAC
- (2-acetyl-4,5-dimethylphenyl) 4-methylbenzoate
Names & synonyms
88952-28-72-Acetyl-4,5-dimethylphenyl 4-methylbenzoateDTXSID40526032
Database identifiers
- CAS
88952-28-7- PubChem CID
- 13190831
- DTXSID
DTXSID40526032
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
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…