6-Hexyl-7-(2-oxo-2-phenyl-ethoxy)-4-phenyl-chromen-2-one
Basic information
- CAS
314743-40-3- Standard SMILES
CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)c1ccccc1- InChIKey
VTERDMJGHXEUDC-UHFFFAOYSA-N- Molecular formula
- C29H28O4
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.19875937
Names & identifiers
- Preferred name
- 6-Hexyl-7-(2-oxo-2-phenyl-ethoxy)-4-phenyl-chromen-2-one
- IUPAC
- 6-hexyl-7-phenacyloxy-4-phenylchromen-2-one
Names & synonyms
EiM07-13382AKOS0163582166-HEXYL-7-(2-OXO-2-PHENYL-ETHOXY)-4-PHENYL-CHROMEN-2-ONE6-hexyl-7-(2-oxo-2-phenylethoxy)-4-phenyl-2H-1-benzopyran-2-one
Database identifiers
- CAS
314743-40-3- PubChem CID
- 4548657
- EC Number
- 166-006-1
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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