Basic information
- Standard SMILES
COC(=O)c1ccc(OC)c(OCCc2cccc(Cl)c2)c1- InChIKey
PUFXBUKEPCXJLR-UHFFFAOYSA-N- Molecular formula
- C17H17ClO4
- Average molar mass
- 320.8 g/mol
- Monoisotopic mass
- 320.0815367
Names & identifiers
- Preferred name
- 3-[2-(3-Chloro-phenyl)-ethoxy]-4-methoxy-benzoic acid methyl ester
- IUPAC
- methyl 3-[2-(3-chlorophenyl)ethoxy]-4-methoxybenzoate
Names & synonyms
SCHEMBL1560333PUFXBUKEPCXJLR-UHFFFAOYSA-N3-[2-(3-chloro-phenyl)-ethoxy]-4-methoxy-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 67076296
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Related reactions
14 records
Compound notes
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