Basic information
- Standard SMILES
CC(C(=O)O)c1ccc(CC(C(=O)O)C(C)C)cc1- InChIKey
AHEHTPSVTQNDSI-UHFFFAOYSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
Names & identifiers
- Preferred name
- 2-[4-(2-Carboxy-3-methylbutyl)phenyl]propionic acid
- IUPAC
- 2-[[4-(1-carboxyethyl)phenyl]methyl]-3-methylbutanoic acid
Names & synonyms
SCHEMBL11729115AHEHTPSVTQNDSI-UHFFFAOYSA-N2-[4-(2-Carboxy-3-methylbutyl)phenyl]propionic acid
Database identifiers
- PubChem CID
- 21454896
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Related reactions
2 records
Compound notes
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