Basic information
- Standard SMILES
CCOC(=O)c1ccc(OC(C)C)c(OCCc2ccc(Cl)cc2Cl)c1- InChIKey
WEXHGSCBAAWWRR-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2O4
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 396.0895146
Names & identifiers
- Preferred name
- 3-[2-(2,4-Dichloro-phenyl)-ethoxy]-4-isopropoxy-benzoic Acid Ethyl Ester
- IUPAC
- ethyl 3-[2-(2,4-dichlorophenyl)ethoxy]-4-propan-2-yloxybenzoate
Names & synonyms
SCHEMBL6066458WEXHGSCBAAWWRR-UHFFFAOYSA-N3-[2-(2,4-Dichloro-phenyl)-ethoxy]-4-isopropoxy-benzoic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 69652285
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
Related reactions
6 records
Compound notes
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