Basic information
- Standard SMILES
Cc1cc(Cl)c(C)c(O)c1-c1c(C)cc(Cl)c(C)c1O- InChIKey
QOCRTDIGIBJHAT-UHFFFAOYSA-N- Molecular formula
- C16H16Cl2O2
- Average molar mass
- 311.2 g/mol
- Monoisotopic mass
- 310.0527351
Names & identifiers
- Preferred name
- 5,5'-Dichloro-3,3',6,6'-tetramethyl-2,2'-biphenol
- IUPAC
- 5-chloro-2-(4-chloro-2-hydroxy-3,6-dimethylphenyl)-3,6-dimethylphenol
Names & synonyms
SCHEMBL4612916QOCRTDIGIBJHAT-UHFFFAOYSA-N5,5'-dichloro-3,3',6,6'-tetramethyl-2,2'-biphenol
Database identifiers
- PubChem CID
- 18544653
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Related reactions
2 records
Compound notes
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