Basic information
- Standard SMILES
COC(=O)c1ccccc1OCCCI- InChIKey
BSEHEAPLAGPPMR-UHFFFAOYSA-N- Molecular formula
- C11H13IO3
- Average molar mass
- 320.12 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-iodopropoxy)-benzoate
- IUPAC
- methyl 2-(3-iodopropoxy)benzoate
Names & synonyms
SCHEMBL7956804BSEHEAPLAGPPMR-UHFFFAOYSA-Nmethyl 2-(3-iodopropoxy)-benzoate
Database identifiers
- PubChem CID
- 18333395
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Related reactions
2 records
Compound notes
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