m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-
Basic information
- CAS
21282-43-9- Standard SMILES
Cc1cc(O)ccc1C(c1ccc(O)cc1C)C(Cl)(Cl)Cl- InChIKey
BKCWHEIYUYYYHA-UHFFFAOYSA-N- Molecular formula
- C16H15Cl3O2
- Average molar mass
- 345.6 g/mol
- Monoisotopic mass
- 344.013763
Names & identifiers
- Preferred name
- m-Cresol, 4,4'-(2,2,2-trichloroethylidene)di-
- IUPAC
- 3-methyl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methylphenyl)ethyl]phenol
Names & synonyms
m-CRESOL, 4,4'-(2,2,2-TRICHLOROETHYLIDENE)DI-21282-43-9BRN 3379842DTXSID101755514,4'-(2,2,2-Trichloroethylidene)bis(3-methylphenol)3-06-00-05479 (Beilstein Handbook Reference)RefChem:351536DTXCID10980423-methyl-4-[2,2,2-trichloro-1-(4-hydroxy-2-methylphenyl)ethyl]phenolorb19856774,4'-(2,2,2-trichloroethane-1,1-diyl)bis(3-methylphenol)AKOS040752957
Show more names
T33231
Database identifiers
- CAS
21282-43-9- PubChem CID
- 30580
- DTXSID
DTXSID10175551
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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