4-Chloro-2,6-bis[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]phenol
Basic information
- CAS
7497-06-5- Standard SMILES
Oc1ccc(Cl)cc1Cc1cc(Cl)cc(Cc2cc(Cl)cc(Cc3cc(Cl)cc(Cc4cc(Cl)ccc4O)c3O)c2O)c1O- InChIKey
LUSREKPZABBUNH-UHFFFAOYSA-N- Molecular formula
- C34H25Cl5O5
- Average molar mass
- 690.8 g/mol
- Monoisotopic mass
- 688.014462
Names & identifiers
- Preferred name
- 4-Chloro-2,6-bis[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]phenol
- IUPAC
- 4-chloro-2,6-bis[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]phenol
Names & synonyms
7497-06-5NSC4021124-chloro-2,6-bis[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]phenolCHEMBL1673284DTXSID40322819NSC-4021122,2'-{(5-Chloro-2-hydroxy-1,3-phenylene)bis[methylene(5-chloro-2-hydroxy-3,1-phenylene)methylene]}bis(4-chlorophenol)
Database identifiers
- CAS
7497-06-5- PubChem CID
- 344937
- DTXSID
DTXSID40322819- ChEMBL
CHEMBL1673284
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 834
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Compound notes
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