Basic information
- Standard SMILES
CCCCCCCCC(Oc1ccc(C(=O)CCC)cc1)C(=O)O- InChIKey
AUFYNZOUFGESSU-UHFFFAOYSA-N- Molecular formula
- C20H30O4
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.21440943
Names & identifiers
- Preferred name
- (RS)-2-[4-Butyrylphenoxy]decanoic Acid
- IUPAC
- 2-(4-butanoylphenoxy)decanoic acid
Names & synonyms
SCHEMBL2720955AUFYNZOUFGESSU-UHFFFAOYSA-N(RS)-2-[4-Butyrylphenoxy]decanoic Acid
Database identifiers
- PubChem CID
- 56969424
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 359
Related reactions
2 records
Compound notes
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