3-(4-{[4'-(2-Ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methoxy}-2-fluorophenyl)propanoic acid
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Basic information
- CAS
858096-92-1- Standard SMILES
CCOCCOc1cc(C)c(-c2cccc(COc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1- InChIKey
MZINVQIEUWFFRN-UHFFFAOYSA-N- Molecular formula
- C28H31FO5
- Average molar mass
- 466.5 g/mol
- Monoisotopic mass
- 466.21555231
Names & identifiers
- Preferred name
- 3-(4-{[4'-(2-Ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methoxy}-2-fluorophenyl)propanoic acid
- IUPAC
- 3-[4-[[3-[4-(2-ethoxyethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
Names & synonyms
CHEMBL2048618SCHEMBL5101299MZINVQIEUWFFRN-UHFFFAOYSA-NDTXSID101115750BDBM503866443-(4-{[4'-(2-ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methoxy}-2-fluorophenyl)propanoic acid858096-92-13-(4-{[4'-(2-Ethoxyethoxy)-2',6'-dimethyl[1,1'-biphenyl]-3-yl]methoxy}-2-fluorophenyl)propanoic acid4-[[4a(2)-(2-Ethoxyethoxy)-2a(2),6a(2)-dimethyl[1,1a(2)-biphenyl]-3-yl]methoxy]-2-fluorobenzenepropanoic acid
Database identifiers
- CAS
858096-92-1- PubChem CID
- 57413373
- DTXSID
DTXSID101115750- ChEMBL
CHEMBL2048618
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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