Ethyl ((6-oxo-7,8,9,10-tetrahydro-6H-benzo(C)chromen-3-YL)oxy)(phenyl)acetate
Basic information
- CAS
405917-08-0- Standard SMILES
CCOC(=O)C(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1- InChIKey
WOFUSXOHWMKKMC-UHFFFAOYSA-N- Molecular formula
- C23H22O5
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.1467238
Names & identifiers
- Preferred name
- Ethyl ((6-oxo-7,8,9,10-tetrahydro-6H-benzo(C)chromen-3-YL)oxy)(phenyl)acetate
- IUPAC
- ethyl 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate
- English name
- Ethyl ((6-oxo-7,8,9,10-tetrahydro-6H-benzo(c)chromen-3-yl)oxy)(phenyl)acetate
- Molecular formula
- C23H22O5
- Molecular weight
- 378.42
Names & synonyms
ETHYL ((6-OXO-7,8,9,10-TETRAHYDRO-6H-BENZO(C)CHROMEN-3-YL)OXY)(PHENYL)ACETATEethyl [(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy](phenyl)acetateOprea1_271195AKOS002383516AKOS016358823Benzeneacetic acid, α-[(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo[b,d]pyran-3-yl)oxy]-, ethyl ester
Database identifiers
- CAS
405917-08-0- PubChem CID
- 2894643
- EC Number
- 143-936-6
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Physicochemical properties
- Boiling point
- 558.06 · 558.060±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.274 · 1.274±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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