6-[3-(1-Adamantyl)-4-methoxyphenyl]-2-bromonaphthalene
Basic information
- Standard SMILES
COc1ccc(-c2ccc3cc(Br)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2- InChIKey
FDVAKRPTOMUSEZ-UHFFFAOYSA-N- Molecular formula
- C27H27BrO
- Average molar mass
- 447.4 g/mol
Names & identifiers
- Preferred name
- 6-[3-(1-Adamantyl)-4-methoxyphenyl]-2-bromonaphthalene
- IUPAC
- 1-[5-(6-bromonaphthalen-2-yl)-2-methoxyphenyl]adamantane
Names & synonyms
SCHEMBL1196452FDVAKRPTOMUSEZ-UHFFFAOYSA-N6-[3-(1-adamantyl)-4-methoxyphenyl]-2-bromonaphthalene
Database identifiers
- PubChem CID
- 59129802
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 560
Related reactions
6 records
Compound notes
Loading…