Basic information
- Standard SMILES
COc1ccc(F)c(-c2ccc(CCl)cc2C(C)(C)C)c1- InChIKey
MUOYPDBQLATAJX-UHFFFAOYSA-N- Molecular formula
- C18H20ClFO
- Average molar mass
- 306.8 g/mol
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-2-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl
- IUPAC
- 2-tert-butyl-4-(chloromethyl)-1-(2-fluoro-5-methoxyphenyl)benzene
Names & synonyms
SCHEMBL2312646MUOYPDBQLATAJX-UHFFFAOYSA-NDB-4084672-(tert-butyl)-4-(chloromethyl)-2'-fluoro-5'-methoxy-1,1'-biphenyl4-(Chloromethyl)-2-(1,1-dimethylethyl)-2'-fluoro-5'-(methyloxy)-1,1'-biphenyl1142223-18-4
Database identifiers
- PubChem CID
- 57705671
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Related reactions
7 records
Compound notes
Loading…