Basic information
- CAS
61888-61-7- Standard SMILES
CCOc1cc(CC(=O)O)cc(-c2ccc(Cl)cc2)c1- InChIKey
QPIRXRZUKZBLNR-UHFFFAOYSA-N- Molecular formula
- C16H15ClO3
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.070972
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 4'-chloro-5-ethoxy-
- IUPAC
- 2-[3-(4-chlorophenyl)-5-ethoxyphenyl]acetic acid
- English name
- 4'-Chloro-5-ethoxy-3-biphenylacetic acid
- Molecular formula
- C16H15ClO3
- Molecular weight
- 290.74
Names & synonyms
61888-61-7BRN 21321554'-Chloro-5-ethoxy-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 4'-CHLORO-5-ETHOXY-DTXSID60210885RefChem:277095DTXCID90133376CHEMBL3244536DB-305741(4'-Chloro-5-ethoxy[1,1'-biphenyl]-3-yl)acetic acid4'-Chloro-5-ethoxy-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 4'-chloro-5-ethoxy-
Database identifiers
- CAS
61888-61-7- PubChem CID
- 43838
- DTXSID
DTXSID60210885- ChEMBL
CHEMBL3244536- Nikkaji
- J78.973I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…