Basic information
- Standard SMILES
CCOC(=O)CCc1cc(OC)ccc1I- InChIKey
HPCYKJAKPILLHV-UHFFFAOYSA-N- Molecular formula
- C12H15IO3
- Average molar mass
- 334.15 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(2-iodo-5-methoxyphenyl)propionate
- IUPAC
- ethyl 3-(2-iodo-5-methoxyphenyl)propanoate
Names & synonyms
SCHEMBL1886489HPCYKJAKPILLHV-UHFFFAOYSA-Nethyl 3-(2-iodo-5-methoxyphenyl)propionate
Database identifiers
- PubChem CID
- 11110409
- Nikkaji
- J1.166.433D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Related reactions
2 records
Compound notes
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