Basic information
- CAS
61888-63-9- Standard SMILES
CC(C)COc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1- InChIKey
TVPAJWGXBGUWSU-UHFFFAOYSA-N- Molecular formula
- C18H19ClO3
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1022722
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-chloro-5-isobutoxy-
- IUPAC
- 2-[3-(4-chlorophenyl)-5-(2-methylpropoxy)phenyl]acetic acid
- English name
- 4'-Chloro-5-isobutoxy-3-biphenylacetic acid
- Molecular formula
- C18H19ClO3
- Molecular weight
- 318.79
Names & synonyms
61888-63-9BRN 21410143-BIPHENYLACETIC ACID, 4'-CHLORO-5-ISOBUTOXY-4'-Chloro-5-isobutoxy-3-biphenylacetic acidDTXSID80210887RefChem:277099DTXCID10133378CHEMBL3244539DB-305748[4'-Chloro-5-(2-methylpropoxy)[1,1'-biphenyl]-3-yl]acetic acid[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-(2-methylpropoxy)-4'-Chloro-5-[(2-methylpropyl)oxy]-1,1'-biphenyl-3-acetic acid
Database identifiers
- CAS
61888-63-9- PubChem CID
- 43840
- DTXSID
DTXSID80210887- ChEMBL
CHEMBL3244539- Nikkaji
- J78.977A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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