4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol
Basic information
- CAS
116519-00-7- Standard SMILES
COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1OC- InChIKey
PGNACKMMQGBVTN-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- 4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol
- IUPAC
- 4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenol
- English name
- (E)-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-Phenol
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenolSCHEMBL5071085DTXSID80326750NCI60_010237DB-060888D821264-[2-(3,4,5-Trimethoxyphenyl)ethen-1-yl]phenol(E)-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]-Phenol(E)-4-(3,4,5-Trimethoxystyryl)phenol4-[(E)-2-(3,4,5-Trimethoxyphenyl)vinyl]phenol4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenolPhenol, 4-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-
Database identifiers
- CAS
116519-00-7- PubChem CID
- 356750
- DTXSID
DTXSID80326750
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 191 °C · 191 °C(Solv: acetic acid, 80% (64-19-7))
- Boiling point
- 440.2 · 440.2±40.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.92 · 9.92±0.26(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Additional notes
DefinitionChEBI: 4'-Hydroxy-3,4,5-trimethoxystilbene is a stilbenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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