Basic information
- CAS
72461-03-1- Standard SMILES
OC1C=Cc2c(c3cc4ccccc4cc3c3ccccc23)[C@H]1O- InChIKey
PGMRWRQBMDSQPZ-IAXKEJLGSA-N- Molecular formula
- C22H16O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.11502975
Names & identifiers
- Preferred name
- 1,2-Dihydrobenzo[f]tetraphene-1,2-diol
- IUPAC
- (8R)-7,8-dihydrobenzo[n]triphenylene-7,8-diol
Names & synonyms
72461-03-1DTXSID809932641,2-Dihydrobenzo[f]tetraphene-1,2-diol(1R)-1,2-dihydrobenzo[f]tetraphene-1,2-diol
Database identifiers
- CAS
72461-03-1- PubChem CID
- 51580
- DTXSID
DTXSID80993264
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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