Basic information
- Standard SMILES
CCc1ccc(C(=O)c2ccccc2C(=O)O)c(CC)c1- InChIKey
MYLFBFFYFOVSMJ-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
Names & identifiers
- Preferred name
- 2-(2,4-Diethylbenzoyl)benzoic acid
- IUPAC
- 2-(2,4-diethylbenzoyl)benzoic acid
Names & synonyms
2-(2,4-diethylbenzoyl)benzoic acidSCHEMBL8864717MYLFBFFYFOVSMJ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19957153
- Nikkaji
- J2.735.474B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
5 records
Compound notes
Loading…