Basic information
- CAS
61888-66-2- Standard SMILES
COc1cc(CC(=O)O)cc(-c2ccc(F)cc2)c1- InChIKey
PJGIEMNLNSDYOE-UHFFFAOYSA-N- Molecular formula
- C15H13FO3
- Average molar mass
- 260.26 g/mol
- Monoisotopic mass
- 260.08487243
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-fluoro-5-methoxy-
- IUPAC
- 2-[3-(4-fluorophenyl)-5-methoxyphenyl]acetic acid
- English name
- 4'-Fluoro-5-methoxy-3-biphenylacetic acid
- Molecular formula
- C15H13FO3
- Molecular weight
- 260.26
Names & synonyms
61888-66-24'-Fluoro-5-methoxy-3-biphenylacetic acidBRN 21291693-BIPHENYLACETIC ACID, 4'-FLUORO-5-METHOXY-DTXSID10210890RefChem:277107DTXCID40133381CHEMBL137734DB-295280(4'-Fluoro-5-methoxy[1,1'-biphenyl]-3-yl)acetic acid4'-Fluoro-5-methoxy-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 4'-fluoro-5-methoxy-
Database identifiers
- CAS
61888-66-2- PubChem CID
- 43843
- DTXSID
DTXSID10210890- ChEMBL
CHEMBL137734- Nikkaji
- J79.003F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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