Basic information
- CAS
61888-68-4- Standard SMILES
COc1cc(CCC(=O)O)cc(-c2ccc(Cl)cc2)c1- InChIKey
AYVTVYUNJPRWEQ-UHFFFAOYSA-N- Molecular formula
- C16H15ClO3
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.070972
Names & identifiers
- Preferred name
- 3-Biphenylpropionic acid, 4'-chloro-5-methoxy-
- IUPAC
- 3-[3-(4-chlorophenyl)-5-methoxyphenyl]propanoic acid
- English name
- 4'-Chloro-5-methoxy-3-biphenylpropionic acid
- Molecular formula
- C16H15ClO3
- Molecular weight
- 290.74
Names & synonyms
61888-68-4BRN 21323584'-Chloro-5-methoxy-3-biphenylpropionic acid3-BIPHENYLPROPIONIC ACID, 4'-CHLORO-5-METHOXY-DTXSID30210892RefChem:277132DTXCID60133383CHEMBL3244543DB-3057513-(4'-Chloro-5-methoxy[1,1'-biphenyl]-3-yl)propanoic acid4'-Chloro-5-methoxy-1,1'-biphenyl-3-propionic acid[1,1'-Biphenyl]-3-propanoic acid, 4'-chloro-5-methoxy-
Database identifiers
- CAS
61888-68-4- PubChem CID
- 43845
- DTXSID
DTXSID30210892- ChEMBL
CHEMBL3244543- Nikkaji
- J79.037K
Properties
Computed structural properties
- XLogP
- 3.9
- 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
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