5-Hydroxy-2',3',4',5',6'-pentamethyl-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
Basic information
- CAS
87821-77-0- Standard SMILES
Cc1c(C)c(C)c(C2CC(=O)C=C(O)C2)c(C)c1C- InChIKey
IYQHBRLKBAEEPE-UHFFFAOYSA-N- Molecular formula
- C17H22O2
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.16197994
Names & identifiers
- Preferred name
- 5-Hydroxy-2',3',4',5',6'-pentamethyl-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
- IUPAC
- 3-hydroxy-5-(2,3,4,5,6-pentamethylphenyl)cyclohex-2-en-1-one
Names & synonyms
87821-77-0SCHEMBL10679929DTXSID50549792IYQHBRLKBAEEPE-UHFFFAOYSA-N5-Hydroxy-2',3',4',5',6'-pentamethyl-1,6-dihydro[1,1'-biphenyl]-3(2H)-one3-hydroxy-5-(pentamethylphenyl)cyclohex-2-en-1-one
Database identifiers
- CAS
87821-77-0- PubChem CID
- 13798570
- DTXSID
DTXSID50549792
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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