2-[(4'-tert-Butyl[1,1'-biphenyl]-4-yl)oxy]-2-methylpropanoic acid
Basic information
- CAS
893642-06-3- Standard SMILES
CC(C)(Oc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)C(=O)O- InChIKey
RZDDKQHXTURHDN-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Names & identifiers
- Preferred name
- 2-[(4'-tert-Butyl[1,1'-biphenyl]-4-yl)oxy]-2-methylpropanoic acid
- IUPAC
- 2-[4-(4-tert-butylphenyl)phenoxy]-2-methylpropanoic acid
Names & synonyms
DTXSID501146303AKOS004116545893642-06-32-[(4'-tert-Butyl[1,1'-biphenyl]-4-yl)oxy]-2-methylpropanoic acid2-[[4a(2)-(1,1-Dimethylethyl)[1,1a(2)-biphenyl]-4-yl]oxy]-2-methylpropanoic acid
Database identifiers
- CAS
893642-06-3- PubChem CID
- 23005283
- DTXSID
DTXSID501146303
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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