Basic information
- Standard SMILES
COC(=O)c1cc(OCCc2ccc(Cl)cc2Cl)cc(C(=O)OC)c1- InChIKey
WUKVQIKIKMMVOL-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2O5
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 382.037479
Names & identifiers
- Preferred name
- 5-[2-(2,4-Dichloro-phenyl)-ethoxy]-isophthalic acid dimethyl ester
- IUPAC
- dimethyl 5-[2-(2,4-dichlorophenyl)ethoxy]benzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL6066587WUKVQIKIKMMVOL-UHFFFAOYSA-N5-[2-(2,4-Dichloro-phenyl)-ethoxy]-isophthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 69652299
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 435
Related reactions
5 records
Compound notes
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