Basic information
- Standard SMILES
O=C(O)C1(c2ccc(-c3ccc(O)cc3)c(F)c2)CC1- InChIKey
BHYFPOMNUGVUDU-UHFFFAOYSA-N- Molecular formula
- C16H13FO3
- Average molar mass
- 272.27 g/mol
- Monoisotopic mass
- 272.08487243
Names & identifiers
- Preferred name
- 1-(2-Fluoro-4'-hydroxy-biphenyl-4-yl)-cyclopropanecarboxylic acid
- IUPAC
- 1-[3-fluoro-4-(4-hydroxyphenyl)phenyl]cyclopropane-1-carboxylic acid
Names & synonyms
SCHEMBL1371366BHYFPOMNUGVUDU-UHFFFAOYSA-NDTXSID1011533221-(2-fluoro-4'-hydroxy-biphenyl-4-yl)-cyclopropanecarboxylic acid749269-80-51-(2-Fluoro-4'-hydroxy[1,1'-biphenyl]-4-yl)cyclopropane-1-carboxylic acid1-(2-Fluoro-4a(2)-hydroxy[1,1a(2)-biphenyl]-4-yl)cyclopropanecarboxylic acid
Database identifiers
- CAS
749269-80-5- PubChem CID
- 11601491
- DTXSID
DTXSID101153322
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
3 records
Linked notes
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