Basic information
- Standard SMILES
CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(CC(=O)O)c2)c(OCC(C)C)c1- InChIKey
SLKBGNOOYDFQMM-UHFFFAOYSA-N- Molecular formula
- C27H36O6
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- 2-[5-(2,4-Diisobutoxybenzoyl)-2-isobutoxyphenyl]acetic acid
- IUPAC
- 2-[5-[2,4-bis(2-methylpropoxy)benzoyl]-2-(2-methylpropoxy)phenyl]acetic acid
Names & synonyms
SCHEMBL4279716SLKBGNOOYDFQMM-UHFFFAOYSA-N2-[5-(2,4-diisobutoxybenzoyl)-2-isobutoxyphenyl]acetic acid
Database identifiers
- PubChem CID
- 17816564
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 601
Related reactions
6 records
Compound notes
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