Basic information
- Standard SMILES
COc1cc2c(cc1-c1cc(-c3ccc(C#N)cc3)on1)C(C)(C)CCC2(C)C- InChIKey
AGOOAZLQCIQHLC-UHFFFAOYSA-N- Molecular formula
- C25H26N2O2
- Average molar mass
- 386.5 g/mol
Names & identifiers
- Preferred name
- 5-(4-Cyanophenyl)-3-(5,6,7,8-tetrahydro-3-methoxy-5,5,8,8-tetramethyl-2-naphthalenyl)-isoxazole
- IUPAC
- 4-[3-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,2-oxazol-5-yl]benzonitrile
Names & synonyms
SCHEMBL9187769AGOOAZLQCIQHLC-UHFFFAOYSA-N5-(4-Cyanophenyl)-3-(5,6,7,8-tetrahydro-3-methoxy-5,5,8,8-tetramethyl-2-naphthalenyl)-isoxazole
Database identifiers
- PubChem CID
- 14726524
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 628
Related reactions
4 records
Compound notes
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