2,4,6-Tris(1-methyl-1-phenylethyl)phenol
Basic information
- CAS
30748-85-7- Standard SMILES
CC(C)(c1ccccc1)c1cc(C(C)(C)c2ccccc2)c(O)c(C(C)(C)c2ccccc2)c1- InChIKey
CEHYZIXIKLSACQ-UHFFFAOYSA-N- Molecular formula
- C33H36O
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.27661577
Names & identifiers
- Preferred name
- 2,4,6-Tris(1-methyl-1-phenylethyl)phenol
- IUPAC
- 2,4,6-tris(2-phenylpropan-2-yl)phenol
- English name
- 2,4,6-tris(1-methyl-1-phenylethyl)phenol
- Molecular formula
- C33H36O
- Molecular weight
- 448.64
Names & synonyms
2,4,6-Tris(1-methyl-1-phenylethyl)phenol30748-85-7LAJ42W4HABDTXSID00184773RefChem:1059654DTXCID40107264250-325-92,4,6-tris(2-phenylpropan-2-yl)phenolEINECS 250-325-9UNII-LAJ42W4HABPhenol, 2,4,6-tris(1-methyl-1-phenylethyl)-SCHEMBL1276281
Show more names
2,4,6-Tris(α,α-dimethylbenzyl)phenol
CHEMBL17953832,4,6-Tri(dimethylbenzyl)phenolAKOS001590267DB-3023272,4,6-tris(1-methyl-1-phenylethyl)-phenolNS000289622,4,6-tri(alpha,alpha-dimethyl-benzyl) phenol2,4,6-Tris(1-methyl -1-phenylethyl )phenol
Database identifiers
- CAS
30748-85-7- PubChem CID
- 634812
- DTXSID
DTXSID00184773- ChEMBL
CHEMBL1795383- UNII
- LAJ42W4HAB
- EC Number
- 250-325-9
- Nikkaji
- J264.987J
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 587
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 42 W4HAB · LAJ42W4HAB
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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