Basic information
- Standard SMILES
CCCCCCCCCCCCCCOc1ccc(C(C(=O)C(c2ccccc2)c2ccc(OCCCCCCCCCCCCCC)cc2)c2ccccc2)cc1- InChIKey
YXANZLFNBWXQLQ-UHFFFAOYSA-N- Molecular formula
- C55H78O3
- Average molar mass
- 787.2 g/mol
- Monoisotopic mass
- 786.59509635
Names & identifiers
- Preferred name
- 4-Tetradecyloxyphenyl-benzyl ketone
- IUPAC
- 1,3-diphenyl-1,3-bis(4-tetradecoxyphenyl)propan-2-one
Names & synonyms
SCHEMBL11267014YXANZLFNBWXQLQ-UHFFFAOYSA-N4-tetradecyloxyphenyl-benzyl ketone
Database identifiers
- PubChem CID
- 54531739
Properties
Computed structural properties
- XLogP
- 19.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 34
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 861
Related reactions
2 records
Compound notes
Loading…