Basic information
- Standard SMILES
CCCCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C(=O)OCC(C)CC)cc3)cc2)cc1- InChIKey
MEKMFJJJRBEBLC-UHFFFAOYSA-N- Molecular formula
- C33H40O4
- Average molar mass
- 500.7 g/mol
Names & identifiers
- Preferred name
- p-n-Octylbenzoic acid 4'-(2-methylbutoxycarbonyl)-4-biphenylyl ester
- IUPAC
- [4-[4-(2-methylbutoxycarbonyl)phenyl]phenyl] 4-octylbenzoate
Names & synonyms
SCHEMBL9505706MEKMFJJJRBEBLC-UHFFFAOYSA-Np-n-octylbenzoic acid 4'-(2-methylbutoxycarbonyl)-4-biphenylyl ester
Database identifiers
- PubChem CID
- 13530953
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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