2-(4-Fluorophenoxy)-1-(2-hydroxy-4-methoxyphenyl)ethanone
Basic information
- CAS
303095-13-8- Standard SMILES
COc1ccc(C(=O)COc2ccc(F)cc2)c(O)c1- InChIKey
UQSXOBJXBDFKRA-UHFFFAOYSA-N- Molecular formula
- C15H13FO4
- Average molar mass
- 276.26 g/mol
- Monoisotopic mass
- 276.07978705
Names & identifiers
- Preferred name
- 2-(4-Fluorophenoxy)-1-(2-hydroxy-4-methoxyphenyl)ethanone
- IUPAC
- 2-(4-fluorophenoxy)-1-(2-hydroxy-4-methoxyphenyl)ethanone
- English name
- 2-(4-fluorophenoxy)-1-(2-hydroxy-4-methoxyphenyl)ethanone
- Molecular formula
- C15H13FO4
- Molecular weight
- 276.26
Names & synonyms
2-(4-fluorophenoxy)-1-(2-hydroxy-4-methoxyphenyl)ethanone303095-13-8RefChem:457659683-993-9MLS000776689SMR000413088Opera_ID_1753Oprea1_212689Oprea1_354150CHEMBL1361228HMS2753N16STL322566
Show more names
Ethanone, 2-(4-fluorophenoxy)-1-(2-hydroxy-4-methoxyphenyl)-
AKOS0036274682-(4-Fluoro-phenoxy)-1-(2-hydroxy-4-methoxy-phenyl)-ethanone
Database identifiers
- CAS
303095-13-8- PubChem CID
- 853070
- ChEMBL
CHEMBL1361228- EC Number
- 683-993-9
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 462.4 · 462.4±40.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 7.13 · 7.13±0.35(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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