Basic information
- Standard SMILES
COC(=O)COc1ccc(OCC=C(c2ccc(I)cc2)c2ccc(C(C)(C)C)cc2)cc1C- InChIKey
KXWYMTGYQBORIM-UHFFFAOYSA-N- Molecular formula
- C29H31IO4
- Average molar mass
- 570.5 g/mol
- Monoisotopic mass
- 570.12671
Names & identifiers
- Preferred name
- Methyl 2-[4-[3-(4-tert-butylphenyl)-3-(4-iodophenyl)prop-2-enoxy]-2-methylphenoxy]acetate
- IUPAC
- methyl 2-[4-[3-(4-tert-butylphenyl)-3-(4-iodophenyl)prop-2-enoxy]-2-methylphenoxy]acetate
Database identifiers
- PubChem CID
- 91566432
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 654
Related reactions
2 records
Compound notes
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