9-(3-Chloro-5-methoxy-4-prop-2-enoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Basic information
- CAS
494757-16-3- Standard SMILES
C=CCOc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC- InChIKey
GVWJODGTEBQBGJ-UHFFFAOYSA-N- Molecular formula
- C27H32ClNO4
- Average molar mass
- 470 g/mol
- Monoisotopic mass
- 469.2019862
Names & identifiers
- Preferred name
- 9-(3-Chloro-5-methoxy-4-prop-2-enoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
- IUPAC
- 9-(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
- English name
- 9-[4-(allyloxy)-3-chloro-5-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
- Molecular formula
- C27H32ClNO4
- Molecular weight
- 470
Names & synonyms
9-[4-(allyloxy)-3-chloro-5-methoxyphenyl]-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedioneAH-487/406866129-(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione1,8(2H,5H)-Acridinedione, 9-[3-chloro-5-methoxy-4-(2-propen-1-yloxy)phenyl]-3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl-
Database identifiers
- CAS
494757-16-3- PubChem CID
- 4200683
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 863
Physicochemical properties
- Boiling point
- 599.2 · 599.2±50.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 1.09 · 1.09±0.70(Predicted)
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Compound notes
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