Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1ccc(OCCCOc2ccc(I)cc2)cc1)OC- InChIKey
MTHRJTHVPBHXCP-FQEVSTJZSA-N- Molecular formula
- C21H25IO5
- Average molar mass
- 484.3 g/mol
- Monoisotopic mass
- 484.07467
Names & identifiers
- Preferred name
- (2S)-3-{4-[3-(4-iodo-phenoxy)-propoxy]-phenyl}-2-methoxy-propionic acid ethyl ester
- IUPAC
- ethyl (2S)-3-[4-[3-(4-iodophenoxy)propoxy]phenyl]-2-methoxypropanoate
Names & synonyms
SCHEMBL5380135MTHRJTHVPBHXCP-FQEVSTJZSA-N(2S)-3-{4-[3-(4-iodo-phenoxy)-propoxy]-phenyl}-2-methoxy-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 58822720
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 403
Related reactions
4 records
Compound notes
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