Methyl 4-(2-fluoro-5-methoxyphenyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)benzoate
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Basic information
- Standard SMILES
COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C2=CC3CCC2(C)C3(C)C)c1- InChIKey
QBDIEHXGMJCLJY-UHFFFAOYSA-N- Molecular formula
- C25H27FO3
- Average molar mass
- 394.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-(2-fluoro-5-methoxyphenyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)benzoate
- IUPAC
- methyl 4-(2-fluoro-5-methoxyphenyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)benzoate
Database identifiers
- PubChem CID
- 76599009
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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