Basic information
- Standard SMILES
O=C(O)c1ccc2c(c1)COC2c1ccc(F)cc1- InChIKey
QXCKIEDIBGSMRB-UHFFFAOYSA-N- Molecular formula
- C15H11FO3
- Average molar mass
- 258.24 g/mol
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carboxylic acid
- IUPAC
- 1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carboxylic acid
Names & synonyms
SCHEMBL7030746QXCKIEDIBGSMRB-UHFFFAOYSA-N1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carboxylic acid
Database identifiers
- PubChem CID
- 15538403
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
2 records
Compound notes
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