2-(1,1-Dimethylethyl)-4-(1-methyl-1-phenylethyl)phenol
Basic information
- CAS
56187-92-9- Standard SMILES
CC(C)(C)c1cc(C(C)(C)c2ccccc2)ccc1O- InChIKey
UYHCLPYFSWPVDZ-UHFFFAOYSA-N- Molecular formula
- C19H24O
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.18271539
Names & identifiers
- Preferred name
- 2-(1,1-Dimethylethyl)-4-(1-methyl-1-phenylethyl)phenol
- IUPAC
- 2-tert-butyl-4-(2-phenylpropan-2-yl)phenol
- English name
- 2-(1,1-dimethylethyl)-4-(1-methyl-1-phenylethyl)phenol
- Molecular formula
- C19H24O
- Molecular weight
- 268.39
Names & synonyms
56187-92-92-(1,1-Dimethylethyl)-4-(1-methyl-1-phenylethyl)phenolEINECS 260-042-2DTXSID10204734RefChem:83782DTXCID40127225260-042-22-tert-butyl-4-(2-phenylpropan-2-yl)phenolPhenol, 2-(1,1-dimethylethyl)-4-(1-methyl-1-phenylethyl)-Q2D3DNX28FSCHEMBL77050852-t-Butyl-4-(dimethylbenzyl)phenol
Show more names
2-t-butyl-4-(α,α-dimethylbenzyl)phenol4-(α,α-Dimethylbenzyl)-2-tert-butylphenol2-tert-Butyl-4-(α,α-dimethylbenzyl)phenol
AKOS024280572ST033362DB-301613NS000334792-(tert-Butyl)-4-(2-phenylpropan-2-yl)phenol2-(tert-butyl)-4-(1-methyl-1-phenylethyl)phenol2-tert-Butyl-4-(1-methyl-1-phenylethyl)phenol #2-(1,1-dimethylethyl)-4(1-methyl-1-phenylethyl)-phenol
Database identifiers
- CAS
56187-92-9- PubChem CID
- 92053
- DTXSID
DTXSID10204734- UNII
- Q2D3DNX28F
- EC Number
- 260-042-2
- Nikkaji
- J296.603D
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 358.5 · 358.5±11.0 °C(Predicted)
- Density
- 1.002 · 1.002±0.06 g/cm3(Predicted)
- pka
- 10.84 · 10.84±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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