Basic information
- CAS
17540-76-0- Standard SMILES
CC(c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1- InChIKey
QAIIXGKSSGKVOU-UHFFFAOYSA-N- Molecular formula
- C22H30O
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.22966558
Names & identifiers
- Preferred name
- 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol
- IUPAC
- 2,6-ditert-butyl-4-(1-phenylethyl)phenol
Names & synonyms
17540-76-0NSC 3215744-(1-phenylethyl)-2,6-ditert-butyl-phenolNSC321574SCHEMBL7515742DTXSID60317883QAIIXGKSSGKVOU-UHFFFAOYSA-NNSC-321574DS-0144462,6-Di-tert-butyl-4-(1-phenylethyl)phenol2,6-Di-t-butyl-4-(alpha-methylbenzyl)phenol2,6-Di-t-butyl-4-(alpha-methylbenzyl) phenol
Database identifiers
- CAS
17540-76-0- PubChem CID
- 331193
- DTXSID
DTXSID60317883
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Related reactions
4 records
Compound notes
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