Basic information
- CAS
5447-06-3- Standard SMILES
O=C(C(=O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1- InChIKey
WEITWPPLQWVKGO-UHFFFAOYSA-N- Molecular formula
- C42H34O6
- Average molar mass
- 634.7 g/mol
- Monoisotopic mass
- 634.2355388
Names & identifiers
- Preferred name
- 1,2-Bis[3,4-bis(phenylmethoxy)phenyl]ethane-1,2-dione
- IUPAC
- 1,2-bis[3,4-bis(phenylmethoxy)phenyl]ethane-1,2-dione
Names & synonyms
5447-06-3NSC167581,2-bis[3,4-bis(phenylmethoxy)phenyl]ethane-1,2-dioneDTXSID30328289NSC-16758Bis[3,4-bis(benzyloxy)phenyl]ethane-1,2-dione
Database identifiers
- CAS
5447-06-3- PubChem CID
- 408901
- DTXSID
DTXSID30328289
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 868
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…