2,2'-[(5-Chloro-2-hydroxy-1,3-phenylene)bis(methylene)]bis(4,6-dimethylphenol)
Basic information
- CAS
6640-95-5- Standard SMILES
Cc1cc(C)c(O)c(Cc2cc(Cl)cc(Cc3cc(C)cc(C)c3O)c2O)c1- InChIKey
JQFAJTWMDXQZOR-UHFFFAOYSA-N- Molecular formula
- C24H25ClO3
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.1492223
Names & identifiers
- Preferred name
- 2,2'-[(5-Chloro-2-hydroxy-1,3-phenylene)bis(methylene)]bis(4,6-dimethylphenol)
- IUPAC
- 2-[[5-chloro-2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methyl]phenyl]methyl]-4,6-dimethylphenol
- English name
- 4-chloro-2,6-bis[(2-hydroxy-3,5-dimethyl-phenyl)methyl]phenol
- Molecular formula
- C24H25ClO3
- Molecular weight
- 396.91
Names & synonyms
6640-95-5NSC48167SCHEMBL12786466SCHEMBL30898482DTXSID80286885NSC-481672,2'-[(5-Chloro-2-hydroxy-1,3-phenylene)bis(methylene)]bis(4,6-dimethylphenol)4-chloro-2,6-bis[(2-hydroxy-3,5-dimethyl-phenyl)methyl]phenolPhenol, 4-chloro-2,6-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]-
Database identifiers
- CAS
6640-95-5- PubChem CID
- 241065
- DTXSID
DTXSID80286885
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 556.8 · 556.8±45.0 °C(Predicted)
- Density
- 1.238 · 1.238±0.06 g/cm3(Predicted)
- pka
- 9.48 · 9.48±0.50(Predicted)
- Comptox DTXSID
- 80286885 · DTXSID80286885
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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