4-Hydroxystilbene
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Basic information
- CAS
3839-46-1- Standard SMILES
Oc1ccc(C=Cc2ccccc2)cc1- InChIKey
QVLMUEOXQBUPAH-UHFFFAOYSA-N- Molecular formula
- C14H12O
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.088815
Names & identifiers
- Preferred name
- 4-Hydroxystilbene
- IUPAC
- 4-(2-phenylethenyl)phenol
- English name
- stilben-4-ol
- Molecular formula
- C14H12O
- Molecular weight
- 196.24448
Names & synonyms
Stilben-4-olCHEBI:36664RefChem:99410223-328-83839-46-14-Hydroxystilbene4-stilbenol4-hydroxy stilbeneS6E4ZX5JSS4-Hydroxystilbene, trans-monostyrylphenolEINECS 229-483-8
Show more names
Stilbene-4-olEinecs 223-328-8trans-Stilbene-4-ol4-Hydroxy-trans-stilbene4-(2-Phenylethenyl)phenol
UNII-S6E4ZX5JSSSCHEMBL27993SCHEMBL54687004-(2-Phenylethen-1-yl)phenolSCHEMBL11073952SCHEMBL27739614DTXSID00859979QVLMUEOXQBUPAH-UHFFFAOYSA-N
Database identifiers
- CAS
3839-46-1、6554-98-9- PubChem CID
- 92971
- DTXSID
DTXSID00859979- EC Number
- 223-328-8
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 186 °C · 186 °C
- Boiling point
- 336.415 · 336.415±17.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.592 · 9.592±0.13(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: A phenol having the structure of stilbene with a hydroxy function at C-4 of one of the phenyl rings; the stereochemistry across the alkene bond is not specified.
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Related reactions
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