2-Propen-1-one, 3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)-
Basic information
- CAS
4122-02-5- Standard SMILES
O=C(C=Cc1ccc(C=CC(=O)c2ccc(O)cc2)cc1)c1ccc(O)cc1- InChIKey
BHUYEFNOZGAZPA-UHFFFAOYSA-N- Molecular formula
- C24H18O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.12050905
Overview
See also: 3,3''-(1,4-Phenylene)bis(4'-hydroxyacrylophenone) (annotation moved to).
Names & identifiers
- Preferred name
- 2-Propen-1-one, 3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)-
- IUPAC
- 1-(4-hydroxyphenyl)-3-[4-[3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
- English name
- 2-Propen-1-one, 3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)-
- Molecular formula
- C24H18O4
- Molecular weight
- 370.4
Names & synonyms
4122-02-52-Propen-1-one, 3,3'-(1,4-phenylene)bis[1-(4-hydroxyphenyl)-SCHEMBL10703657DTXSID70327736NCI60_0289593,3'-(1,4-Phenylene)bis[1-(4-hydroxyphenyl)prop-2-en-1-one]3,3'-benzene-1,4-diylbis[1-(4-hydroxyphenyl)prop-2-en-1-one]3,3'-(1,4-PHENYLENE)BIS(4'-HYDROXYACRYLOPHENONE)3,3'-(1,4-PHENYLENE)BIS(4'-HYDROXYACRYLOPHENONE)1,4-Dibenzol
Database identifiers
- CAS
4122-02-5- PubChem CID
- 387385
- DTXSID
DTXSID70327736
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- Melting point
- 262 · 262-264 °C(Solvent: Methanol)
- Boiling point
- 657.565 · 657.565±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.363 · 7.363±0.15(predicted)
- Hazard statements
- 413 · H413
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Hazard statements
- H413
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Related reactions
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Compound notes
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