9-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
381698-28-8- Standard SMILES
COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1- InChIKey
CUMNLLCOZWGJJP-UHFFFAOYSA-N- Molecular formula
- C31H33FO5
- Average molar mass
- 504.6 g/mol
Names & identifiers
- Preferred name
- 9-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
- IUPAC
- 9-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
- English name
- 9-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
- Molecular formula
- C31H33FO5
- Molecular weight
- 504.59
Names & synonyms
9-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione9-(3-((4-fluorophenoxy)methyl)-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dioneChemDiv1_009270Oprea1_478770HMS613F08STK836261AKOS0016496809-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dioneEU-0044008UNM000000624301AK-968/37077075SR-01000486182
Show more names
1H-Xanthene-1,8(2H)-dione, 9-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl-
SR-01000486182-19-{3-[(4-FLUOROPHENOXY)METHYL]-4-METHOXYPHENYL}-3,3,6,6-TETRAMETHYL-2,3,4,5,6,7,8,9-OCTAHYDRO-1H-XANTHENE-1,8-DIONE
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 932
Physicochemical properties
- Boiling point
- 641.2 · 641.2±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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