2-Propen-1-one, 1-(2-hydroxy-5-iodophenyl)-3-(4-methoxyphenyl)-
Basic information
- CAS
92855-05-5- Standard SMILES
COc1ccc(C=CC(=O)c2cc(I)ccc2O)cc1- InChIKey
BASMPNVUGVONGP-UHFFFAOYSA-N- Molecular formula
- C16H13IO3
- Average molar mass
- 380.18 g/mol
- Monoisotopic mass
- 379.99094
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(2-hydroxy-5-iodophenyl)-3-(4-methoxyphenyl)-
- IUPAC
- 1-(2-hydroxy-5-iodophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
92855-05-52-Propen-1-one, 1-(2-hydroxy-5-iodophenyl)-3-(4-methoxyphenyl)-DTXSID103327881-(2-hydroxy-5-iodophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Database identifiers
- CAS
92855-05-5- PubChem CID
- 466258
- DTXSID
DTXSID10332788
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
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Compound notes
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