Basic information
- CAS
6973-97-3- Standard SMILES
COc1ccc2c(c1)C1(c3ccccc3)c3ccccc3C21- InChIKey
QLGDCRRXHDSRQI-UHFFFAOYSA-N- Molecular formula
- C21H16O
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.12011513
Names & identifiers
- Preferred name
- 2-Methoxy-8b-phenyl-4b,8b-dihydrobenzo[3',4']cyclobuta[1',2':3,4]cyclobuta[1,2]benzene
- IUPAC
- 4-methoxy-1-phenyltetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaene
Names & synonyms
6973-97-32-methoxy-8b-phenyl-4b,8b-dihydrobenzo[3',4']cyclobuta[1',2':3,4]cyclobuta[1,2]benzeneNSC41394DTXSID60285336NSC-41394
Database identifiers
- CAS
6973-97-3- PubChem CID
- 237686
- DTXSID
DTXSID60285336
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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