Basic information
- CAS
61888-58-2- Standard SMILES
CC(C)COc1cc(CC(=O)O)cc(-c2ccccc2)c1- InChIKey
UEEUXNYHDGTSTK-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-isobutoxy-
- IUPAC
- 2-[3-(2-methylpropoxy)-5-phenylphenyl]acetic acid
- English name
- 5-Isobutoxy-3-biphenylacetic acid
- Molecular formula
- C18H20O3
- Molecular weight
- 284.35
Names & synonyms
5-Isobutoxy-3-biphenylacetic acid61888-58-23-BIPHENYLACETIC ACID, 5-ISOBUTOXY-BRN 2129740DTXSID40210883RefChem:277119DTXCID70133374CHEMBL3244534DB-317713[5-(2-Methylpropoxy)[1,1'-biphenyl]-3-yl]acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-(2-methylpropoxy)-5-[(2-Methylpropyl)oxy]-1,1'-biphenyl-3-acetic acid
Database identifiers
- CAS
61888-58-2- PubChem CID
- 43836
- DTXSID
DTXSID40210883- ChEMBL
CHEMBL3244534- Nikkaji
- J79.004D
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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