Basic information
- CAS
61888-55-9- Standard SMILES
CCOc1cc(CC(=O)O)cc(-c2ccccc2)c1- InChIKey
IDQDNOFOJRPGRQ-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-ethoxy-
- IUPAC
- 2-(3-ethoxy-5-phenylphenyl)acetic acid
- English name
- 5-Ethoxy-3-biphenylacetic acid
- Molecular formula
- C16H16O3
- Molecular weight
- 256.3
Names & synonyms
5-Ethoxy-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 5-ETHOXY-61888-55-9BRN 2123056DTXSID60210880RefChem:277116DTXCID90133371CHEMBL3244531DB-317629(5-Ethoxy[1,1'-biphenyl]-3-yl)acetic acid5-Ethoxy-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-ethoxy-
Database identifiers
- CAS
61888-55-9- PubChem CID
- 43834
- DTXSID
DTXSID60210880- ChEMBL
CHEMBL3244531- Nikkaji
- J79.001J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 423.8 · 423.8±30.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…