2-Biphenylacetic acid, 4'-chloro-5-methoxy-
Basic information
- CAS
77894-12-3- Standard SMILES
COc1ccc(CC(=O)O)c(-c2ccc(Cl)cc2)c1- InChIKey
LFULLDHQIIJCGN-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-5-methoxy-
- IUPAC
- 2-[2-(4-chlorophenyl)-4-methoxyphenyl]acetic acid
Names & synonyms
BRN 50507562-BIPHENYLACETIC ACID, 4'-CHLORO-5-METHOXY-4'-Chloro-5-methoxy-2-biphenylacetic acid77894-12-34'-Chloro-5-methoxy-(1,1'-biphenyl)-2-acetic acid(1,1'-Biphenyl)-2-acetic acid, 4'-chloro-5-methoxy-DTXSID10228516RefChem:256652DTXCID60151007CHEMBL427797(4'-Chloro-5-methoxy[1,1'-biphenyl]-2-yl)acetic acid
Database identifiers
- CAS
77894-12-3- PubChem CID
- 53810
- DTXSID
DTXSID10228516- ChEMBL
CHEMBL427797- Nikkaji
- J78.980A
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…