2-Biphenylacetic acid, 4'-chloro-3-methoxy-
Basic information
- CAS
77894-14-5- Standard SMILES
COc1cccc(-c2ccc(Cl)cc2)c1CC(=O)O- InChIKey
BMRFDTBYGKZEEI-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 2-Biphenylacetic acid, 4'-chloro-3-methoxy-
- IUPAC
- 2-[2-(4-chlorophenyl)-6-methoxyphenyl]acetic acid
Names & synonyms
BRN 50596532-BIPHENYLACETIC ACID, 4'-CHLORO-3-METHOXY-4'-Chloro-3-methoxy-2-biphenylacetic acid77894-14-54'-Chloro-3-methoxy-(1,1'-biphenyl)-2-acetic acid(1,1'-Biphenyl)-2-acetic acid, 4'-chloro-3-methoxy-DTXSID30228518RefChem:256650DTXCID80151009CHEMBL415475(4'-Chloro-3-methoxy[1,1'-biphenyl]-2-yl)acetic acid
Database identifiers
- CAS
77894-14-5- PubChem CID
- 53812
- DTXSID
DTXSID30228518- ChEMBL
CHEMBL415475- Nikkaji
- J78.978J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…