[3,5,3'',5''-Tetramethyl-5'-(8-phenyl-octylcarbamoyl)-[1,1':3',1'']terphenyl-2'-yloxy]acetic Acid
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Basic information
- Standard SMILES
Cc1cc(C)cc(-c2cc(C(=O)NCCCCCCCCc3ccccc3)cc(-c3cc(C)cc(C)c3)c2OCC(=O)O)c1- InChIKey
MCJHYPIFPCJACC-UHFFFAOYSA-N- Molecular formula
- C39H45NO4
- Average molar mass
- 591.8 g/mol
- Monoisotopic mass
- 591.33485892
Names & identifiers
- Preferred name
- [3,5,3'',5''-Tetramethyl-5'-(8-phenyl-octylcarbamoyl)-[1,1':3',1'']terphenyl-2'-yloxy]acetic Acid
- IUPAC
- 2-[2,6-bis(3,5-dimethylphenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]acetic acid
Names & synonyms
SCHEMBL5991742MCJHYPIFPCJACC-UHFFFAOYSA-N[3,5,3'',5''-Tetramethyl-5'-(8-phenyl-octylcarbamoyl)-[1,1':3',1'']terphenyl-2'-yloxy]acetic Acid[3,5,3'',5''-Tetramethyl-5'-(8-phenyl-octylcarbamoyl)-[1,1';3',1'']terphenyl-2'-yloxy]acetic acid[3,5,3'',5''-Tetramethyl-5'-(8-phenyl-octylcarbamoyl)-[1,1';3'1'']terphenyl-2'-yloxy]acetic Acid
Database identifiers
- PubChem CID
- 9873259
Properties
Computed structural propertiesFilling in
- XLogP
- 10.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 799
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Related reactions
5 records
Compound notes
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