Basic information
- Standard SMILES
COC(=O)C1=Cc2cc(OCc3ccc(F)cc3)ccc2CCC1- InChIKey
VSYVKTJQGKMZKG-UHFFFAOYSA-N- Molecular formula
- C20H19FO3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.13182263
Names & identifiers
- Preferred name
- methyl 2-(4-fluorobenzyloxy)-6,7-dihydro-5H-benzocycloheptene-8-carboxylate
- IUPAC
- methyl 3-[(4-fluorophenyl)methoxy]-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate
Names & synonyms
SCHEMBL7222742VSYVKTJQGKMZKG-UHFFFAOYSA-Nmethyl 2-(4-fluorobenzyloxy)-6,7-dihydro-5H-benzocycloheptene-8-carboxylate
Database identifiers
- PubChem CID
- 22989984
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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