Basic information
- CAS
77894-11-2- Standard SMILES
COc1cccc(CC(=O)O)c1-c1ccc(Cl)cc1- InChIKey
QWOBRMYPJLOXMU-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-6-methoxy-
- IUPAC
- 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetic acid
Names & synonyms
BRN 50588502-BIPHENYLACETIC ACID, 4'-CHLORO-6-METHOXY-4'-Chloro-6-methoxy-2-biphenylacetic acid77894-11-24'-Chloro-6-methoxy-(1,1'-biphenyl)-2-acetic acid(1,1'-Biphenyl)-2-acetic acid, 4'-chloro-6-methoxy-DTXSID50228515RefChem:256653DTXCID00151006CHEMBL267667(4'-Chloro-6-methoxy[1,1'-biphenyl]-2-yl)acetic acid
Database identifiers
- CAS
77894-11-2- PubChem CID
- 3033656
- DTXSID
DTXSID50228515- ChEMBL
CHEMBL267667- Nikkaji
- J78.981J
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
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