Basic information
- CAS
6625-45-2- Standard SMILES
O=C1C=C(OCc2ccccc2)C(=O)C(OCc2ccccc2)=C1- InChIKey
ZPDJHWCGUYEADD-UHFFFAOYSA-N- Molecular formula
- C20H16O4
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.10485899
Names & identifiers
- Preferred name
- 2,6-Bis(benzyloxy)cyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2,6-bis(phenylmethoxy)cyclohexa-2,5-diene-1,4-dione
- English name
- 2,6-bis(benzyloxy)benzo-1,4-quinone
- Molecular formula
- C20H16O4
- Molecular weight
- 320.33864
Names & synonyms
2,6-bis(benzyloxy)cyclohexa-2,5-diene-1,4-dione6625-45-22,6-bis(phenylmethoxy)cyclohexa-2,5-diene-1,4-dioneNSC526772,6-bis(benzyloxy)benzo-1,4-quinoneSCHEMBL28858701DTXSID00287834MFCD02068340NSC-52677SY386537AE-473/30685054
Database identifiers
- CAS
6625-45-2- PubChem CID
- 243273
- DTXSID
DTXSID00287834
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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