2-Acetyl-4,5-dimethylphenyl 3-methoxybenzoate
Basic information
- CAS
88952-25-4- Standard SMILES
COc1cccc(C(=O)Oc2cc(C)c(C)cc2C(C)=O)c1- InChIKey
DATISRCUFKIRFV-UHFFFAOYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- 2-Acetyl-4,5-dimethylphenyl 3-methoxybenzoate
- IUPAC
- (2-acetyl-4,5-dimethylphenyl) 3-methoxybenzoate
Names & synonyms
88952-25-42-Acetyl-4,5-dimethylphenyl 3-methoxybenzoateDTXSID10526029
Database identifiers
- CAS
88952-25-4- PubChem CID
- 13190828
- DTXSID
DTXSID10526029
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
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Compound notes
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