Basic information
- CAS
61222-99-9- Standard SMILES
COc1ccc(C2C(C#N)=C(c3ccccc3)OC(OC)(OC)C2(OC)OC)cc1- InChIKey
PCGQXUFHEAXNGZ-UHFFFAOYSA-N- Molecular formula
- C23H25NO6
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.16818752
Names & identifiers
- Preferred name
- 5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile
- IUPAC
- 5,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrile
Names & synonyms
61222-99-95,5,6,6-tetramethoxy-4-(4-methoxyphenyl)-2-phenyl-4H-pyran-3-carbonitrileAG-650/410692262,2,3,3-tetramethoxy-4-(4-methoxyphenyl)-6-phenyl-3,4-dihydro-2H-pyran-5-carbonitrileNSC362892DTXSID50320664NSC-362892
Database identifiers
- CAS
61222-99-9- PubChem CID
- 338802
- DTXSID
DTXSID50320664
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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