9-(4-Hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
Basic information
- CAS
156176-93-1- Standard SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1- InChIKey
AOPYGJZYZFSWNA-UHFFFAOYSA-N- Molecular formula
- C23H27NO3
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.19909372
Names & identifiers
- Preferred name
- 9-(4-Hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
- IUPAC
- 9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
- English name
- 1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-
- Molecular formula
- C23H27NO3
- Molecular weight
- 365.47
Names & synonyms
9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2h,5h)-dioneCDS1_003335ChemDiv1_026631Oprea1_147853Oprea1_866185DivK1c_004375SCHEMBL7817352HMS662K11AKOS000735004CCG-1983689-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dioneST50000590
Show more names
1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-
SR-01000550670SR-01000550670-19-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8 -dione9-(4-HO-PH)-3,3,6,6-TETRAMETHYL-3,4,6,7,9,10-HEXAHYDRO-2H,5H-ACRIDINE-1,8-DIONE
Database identifiers
- CAS
156176-93-1- PubChem CID
- 983540
- EC Number
- 162-995-9
- Nikkaji
- J2.932.978H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 696
Physicochemical properties
- Melting point
- 300 °C · >300 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
- Boiling point
- 555.6 · 555.6±50.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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