Methyl 6-fluoro-2-hydroxy-3,4-dihydro-1-naphthoate
Basic information
- Standard SMILES
COC(=O)C1=C(O)CCc2cc(F)ccc21- InChIKey
MTWRJMSYQXBMEH-UHFFFAOYSA-N- Molecular formula
- C12H11FO3
- Average molar mass
- 222.21 g/mol
- Monoisotopic mass
- 222.06922237
Names & identifiers
- Preferred name
- Methyl 6-fluoro-2-hydroxy-3,4-dihydro-1-naphthoate
- IUPAC
- methyl 6-fluoro-2-hydroxy-3,4-dihydronaphthalene-1-carboxylate
Names & synonyms
Methyl 6-fluoro-2-hydroxy-3,4-dihydro-1-naphthoateSCHEMBL588072MTWRJMSYQXBMEH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66735335
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Related reactions
4 records
Compound notes
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