Basic information
- CAS
40542-32-3- Standard SMILES
OCc1cc(Cl)cc(Cc2cc(Cl)cc(CO)c2O)c1O- InChIKey
DLFXILXMXGKZRE-UHFFFAOYSA-N- Molecular formula
- C15H14Cl2O4
- Average molar mass
- 329.2 g/mol
- Monoisotopic mass
- 328.0269143
Names & identifiers
- Preferred name
- 4-Chloro-2-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol
- IUPAC
- 4-chloro-2-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol
Names & synonyms
40542-32-306OMR9N4293,3'-Methylenebis(5-chlorosaligenin)Saligenin, 3,3'-methylenebis(5-chloro-UNII-06OMR9N4294-chloro-2-[[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-6-(hydroxymethyl)phenol3,3-Methylenebis[5-chlorosaligenin3,3'-Methylenebis[5-chlorosaligeninBis(5-chloro-2-hydroxy-3-hydroxymethylphenyl)methaneBenzenemethanol, 3,3'-methylenebis(5-chloro-2-hydroxy-Benzyl alcohol, 3,3'-methylenebis(5-chloro-2-hydroxy-4-Chloro-2-((5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl)methyl)-6-(hydroxymethyl)phenol
Show more names
6,6'-Methylenebis(4-chloro-2-(hydroxymethyl)phenol)SCHEMBL9362730QBA542323,3'-Methylenebis[5-chloro-2-hydroxy-benzyl alcohol]
Database identifiers
- CAS
40542-32-3- PubChem CID
- 458149
- UNII
- 06OMR9N429
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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