3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methyl-6H-benzo[c]chromen-6-one
Basic information
- CAS
379731-69-8- Standard SMILES
COc1ccc(C(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)cc1F- InChIKey
SHCDELSNECNYEH-UHFFFAOYSA-N- Molecular formula
- C23H17FO5
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.1060018
Names & identifiers
- Preferred name
- 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methyl-6H-benzo[c]chromen-6-one
- IUPAC
- 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methylbenzo[c]chromen-6-one
- English name
- 3-[2-(3-Fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methyl-6H-benzo[c]chromen-6-one
- Molecular formula
- C23H17FO5
- Molecular weight
- 392.38
Names & synonyms
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methyl-6H-benzo[c]chromen-6-one379731-69-8Oprea1_495091AKOS001032491Z568281543-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methyl-6H-dibenzo[b,d]pyran-6-one6H-Dibenzo[b,d]pyran-6-one, 3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethoxy]-4-methyl-
Database identifiers
- CAS
379731-69-8- PubChem CID
- 978396
- EC Number
- 144-024-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 610
Physicochemical properties
- Boiling point
- 598 · 598.0±50.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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