Basic information
- Standard SMILES
Cc1cc(OC(c2ccc(C(=O)O)cc2)C(C)C)cc(C)c1-c1ccc(C(C)C)cc1- InChIKey
LKKVHAUPZNQLJV-UHFFFAOYSA-N- Molecular formula
- C28H32O3
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.23514488
Names & identifiers
- Preferred name
- 4-[1-(4'-Isopropyl-2,6-dimethyl-biphenyl-4-yloxy)-2-methyl-propyl]-benzoic acid
- IUPAC
- 4-[1-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenoxy]-2-methylpropyl]benzoic acid
Names & synonyms
SCHEMBL1765706LKKVHAUPZNQLJV-UHFFFAOYSA-N4-[1-(4'-Isopropyl-2,6-dimethyl-biphenyl-4-yloxy)-2-methyl-propyl]-benzoic acid
Database identifiers
- PubChem CID
- 67153577
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 543
Related reactions
6 records
Compound notes
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