4,4'-(1,2-Diethylethylene)bis(3-methylphenol)
Basic information
- CAS
108332-35-0- Standard SMILES
CCC(c1ccc(O)cc1C)C(CC)c1ccc(O)cc1C- InChIKey
IQBLHYZSOLBYHP-UHFFFAOYSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Names & identifiers
- Preferred name
- 4,4'-(1,2-Diethylethylene)bis(3-methylphenol)
- IUPAC
- 4-[4-(4-hydroxy-2-methylphenyl)hexan-3-yl]-3-methylphenol
Names & synonyms
4,4'-(1,2-Diethylethylene)bis(3-methylphenol)CHEMBL14994DTXSID009106904,4'-(Hexane-3,4-diyl)bis(3-methylphenol)108332-35-0
Database identifiers
- CAS
108332-35-0- PubChem CID
- 55392
- DTXSID
DTXSID00910690- ChEMBL
CHEMBL14994- Nikkaji
- J118.435K
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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