Basic information
- Standard SMILES
C=CCOc1cc(C(=O)OC)ccc1I- InChIKey
WHIBIKNLTSUVFG-UHFFFAOYSA-N- Molecular formula
- C11H11IO3
- Average molar mass
- 318.11 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(allyloxy)-4-iodobenzoate
- IUPAC
- methyl 4-iodo-3-prop-2-enoxybenzoate
Names & synonyms
methyl 3-(allyloxy)-4-iodobenzoate501892-70-2SCHEMBL5229400WHIBIKNLTSUVFG-UHFFFAOYSA-Nmethyl 4-iodo-3-prop-2-enoxybenzoateDB-417364Methyl 4-iodo-3-(2-propen-1-yloxy)benzoateA1-41376
Database identifiers
- PubChem CID
- 22481791
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Related reactions
3 records
Compound notes
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