Basic information
- CAS
823179-46-0- Standard SMILES
c1ccc(C2=C(c3ccccc3)CC3COCC3C2)cc1- InChIKey
AEDRUKJWCFZLDL-UHFFFAOYSA-N- Molecular formula
- C20H20O
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.15141526
Names & identifiers
- Preferred name
- 5,6-Diphenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran
- IUPAC
- 5,6-diphenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuran
Names & synonyms
823179-46-05,6-Diphenyl-1,3,3a,4,7,7a-hexahydroisobenzofuran5,6-Diphenyl-1,3,3a,4,7,7a-hexahydro-2-benzofuranSCHEMBL5394456DTXSID00593760
Database identifiers
- CAS
823179-46-0- PubChem CID
- 18436362
- DTXSID
DTXSID00593760
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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