(4-Benzoyloxy-3,5-dimethylphenyl) benzoate
Basic information
- CAS
21111-81-9- Standard SMILES
Cc1cc(OC(=O)c2ccccc2)cc(C)c1OC(=O)c1ccccc1- InChIKey
PWEDRMDCDISIQK-UHFFFAOYSA-N- Molecular formula
- C22H18O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.12050905
Names & identifiers
- Preferred name
- (4-Benzoyloxy-3,5-dimethylphenyl) benzoate
- IUPAC
- (4-benzoyloxy-3,5-dimethylphenyl) benzoate
Names & synonyms
(4-benzoyloxy-3,5-dimethylphenyl) benzoate21111-81-9NSC173997SCHEMBL11511170DTXSID20306076NSC-1739972,6-Dimethyl-1,4-phenylene dibenzoateDS-0083991,4-Benzenediol,2,6-dimethyl-, 1,4-dibenzoate
Database identifiers
- CAS
21111-81-9- PubChem CID
- 299975
- DTXSID
DTXSID20306076
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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