4-Ethoxy-4'-biphenylcarboxylic acid
Basic information
- CAS
729-18-0- Standard SMILES
CCOc1ccc(-c2ccc(C(=O)O)cc2)cc1- InChIKey
NLHZIBRSZUFDFU-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 4-Ethoxy-4'-biphenylcarboxylic acid
- IUPAC
- 4-(4-ethoxyphenyl)benzoic acid
- English name
- 4-Ethoxy-4'-biphenylcarboxylic acid
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
729-18-04-ETHOXY-4'-BIPHENYLCARBOXYLIC ACID4'-Ethoxy-[1,1'-biphenyl]-4-carboxylic acid4-(4-ethoxyphenyl)benzoic acid4'-Ethoxy[1,1'-biphenyl]-4-carboxylic acid4'-ethoxybiphenyl-4-carboxylic acidSCHEMBL202683DTXSID10629605MFCD00799358AKOS0026797524-n-Ethyloxybiphenyl-4'-carboxylic acidDB-022363
Show more names
AKOS BAR-21354-Carboxy-4''-ethoxybiphenyl[1,1'-Biphenyl]-4-carboxylic acid, 4'-ethoxy-
H587054 inverted exclamation marka-Ethoxy[1,1 inverted exclamation marka-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
729-18-0- PubChem CID
- 23005102
- DTXSID
DTXSID10629605
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 416.5 · 416.5±38.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- pka
- 4.27 · 4.27±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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