Basic information
- CAS
444936-90-7- Standard SMILES
COc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1OCc1ccccc1- InChIKey
COILPZQUMJNNMD-UHFFFAOYSA-N- Molecular formula
- C27H27NO4
- Average molar mass
- 429.5 g/mol
Names & identifiers
- Preferred name
- 9-(3-Methoxy-2-phenylmethoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
- IUPAC
- 9-(3-methoxy-2-phenylmethoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
- English name
- 9-[2-(benzyloxy)-3-methoxyphenyl]-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
- Molecular formula
- C27H27NO4
- Molecular weight
- 429.51
Names & synonyms
9-[2-(benzyloxy)-3-methoxyphenyl]-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dioneOprea1_557159STK959841AKOS0005211419-(3-methoxy-2-phenylmethoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dioneAK-968/15610379444936-90-79-[2-(BENZYLOXY)-3-METHOXYPHENYL]-3,4,6,7,9,10-HEXAHYDRO-1,8(2H,5H)-ACRIDINEDIONE1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-[3-methoxy-2-(phenylmethoxy)phenyl]-
Database identifiers
- CAS
444936-90-7
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 764
Physicochemical properties
- Boiling point
- 625 · 625.0±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 1.14 · 1.14±0.40(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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