Basic information
- Standard SMILES
CC(C)(C#N)CCCCOc1cc(OCc2ccccc2)ccc1C(=O)c1ccccc1- InChIKey
BSJKPSKXDMJKHP-UHFFFAOYSA-N- Molecular formula
- C28H29NO3
- Average molar mass
- 427.5 g/mol
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-2-[(5-methyl-5-cyanohexyl)oxy]-benzophenone
- IUPAC
- 6-(2-benzoyl-5-phenylmethoxyphenoxy)-2,2-dimethylhexanenitrile
Names & synonyms
SCHEMBL6756014BSJKPSKXDMJKHP-UHFFFAOYSA-N4-(benzyloxy)-2-[(5-methyl-5-cyanohexyl)oxy]-benzophenone
Database identifiers
- PubChem CID
- 23501784
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 609
Related reactions
2 records
Compound notes
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