Basic information
- CAS
63989-81-1- Standard SMILES
Cc1cc(C)c(Cc2cc(Cl)ccc2O)cc1Cc1cc(Cl)ccc1O- InChIKey
YSJLJKTZENIOHB-UHFFFAOYSA-N- Molecular formula
- C22H20Cl2O2
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 386.0840353
Names & identifiers
- Preferred name
- o-Cresol, alpha,alpha'-(4,6-dimethyl-m-phenylene)-bis(4-chloro-
- IUPAC
- 4-chloro-2-[[5-[(5-chloro-2-hydroxyphenyl)methyl]-2,4-dimethylphenyl]methyl]phenol
- English name
- 2,2'-(4,6-Dimethyl-1,3-phenylenedimethylene)bis(4-chlorophenol)
- Molecular formula
- C22H20Cl2O2
- Molecular weight
- 387.299
Names & synonyms
BRN 3472087o-CRESOL, alpha,alpha'-(4,6-DIMETHYL-m-PHENYLENE)-BIS(4-CHLORO-63989-81-1alpha,alpha'-(4,6-Dimethyl-m-phenylene)-bis(4-chloro-o-cresol)DTXSID502139214-06-00-06992 (Beilstein Handbook Reference)RefChem:366421DTXCID80136412DB-3020212,2'-(4,6-Dimethyl-1,3-phenylenedimethylene)bis(4-chlorophenol)2,2'-[(4,6-Dimethyl-1,3-phenylene)bis(methylene)]bis(4-chlorophenol)
Database identifiers
- CAS
63989-81-1- PubChem CID
- 46155
- DTXSID
DTXSID50213921- Nikkaji
- J67.711F
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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