1-(2,6-Dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Basic information
- CAS
85679-87-4- Standard SMILES
COc1cccc(OC)c1C(=O)C=Cc1ccc(O)cc1- InChIKey
ZCZLYSMNVIUXME-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
Names & identifiers
- Preferred name
- 1-(2,6-Dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
- IUPAC
- 1-(2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
- English name
- 2-Propen-1-one, 1-(2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
1-(2,6-Dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one85679-87-42-Propen-1-one, 1-(2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-orb1296849G905876-dimethoxyphenyl)-3-(4-hydroxyphenyl)-1-(2,6-Dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one2-Propen-1-one, 1-(2,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-, 10 mM in DMSO2Propen1one, 1(2,6dimethoxyphenyl)3(4hydroxyphenyl),2 Propen 1 one, 1 (2,6 dimethoxyphenyl) 3 (4 hydroxyphenyl)
Database identifiers
- CAS
85679-87-4
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 495.7 · 495.7±45.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- 9.73 · 9.73±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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