3-(4-Hydroxyphenyl)prop-2-en-1-yl acetate
Basic information
- CAS
124389-48-6- Standard SMILES
CC(=O)OCC=Cc1ccc(O)cc1- InChIKey
UUEPXFWSBUIUAZ-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Overview
3-(4-Hydroxyphenyl)prop-2-en-1-yl acetate has been reported in Alpinia galanga with data available.
Names & identifiers
- Preferred name
- 3-(4-Hydroxyphenyl)prop-2-en-1-yl acetate
- IUPAC
- 3-(4-hydroxyphenyl)prop-2-enyl acetate
- English name
- Phenol, 4-[3-(acetyloxy)-1-propenyl]-
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
124389-48-63-(4-Hydroxyphenyl)prop-2-en-1-yl acetateDTXSID60710911Coumaryl acetic acid3-(4-hydroxyphenyl)prop-2-enyl acetateRefChem:92454DTXCID20661657Phenol, 4-[3-(acetyloxy)-1-propen-1-yl]-p-hydroxycinnamyl acetateSCHEMBL7368086Phenol, 4-[3-(acetyloxy)-1-propenyl]-
Database identifiers
- CAS
124389-48-6- PubChem CID
- 54372486
- DTXSID
DTXSID60710911
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 343.413 · 343.413±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.855 · 9.855±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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