4'-Chloro-5-methoxy-2'-methyl-[1,1'-biphenyl]-3-carboxylic acid
Basic information
- CAS
1261958-92-2- Standard SMILES
COc1cc(C(=O)O)cc(-c2ccc(Cl)cc2C)c1- InChIKey
PGTXULITJTUDNO-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 4'-Chloro-5-methoxy-2'-methyl-[1,1'-biphenyl]-3-carboxylic acid
- IUPAC
- 3-(4-chloro-2-methylphenyl)-5-methoxybenzoic acid
Names & synonyms
1261958-92-24'-Chloro-5-methoxy-2'-methyl-[1,1'-biphenyl]-3-carboxylic acid3-(4-CHLORO-2-METHYLPHENYL)-5-METHOXYBENZOIC ACID[1,1'-Biphenyl]-3-carboxylic acid, 4'-chloro-5-methoxy-2'-methyl-MFCD18320852DTXSID00690369H832043-(4-chloro-2-methyl-phenyl)-5-methoxy-benzoic acidA1-1008743-(4-Chloro-2-methylphenyl)-5-methoxybenzoic acid, 95%4'-Chloro-5-methoxy-2'-methyl[1,1'-biphenyl]-3-carboxylic acid[1,1 inverted exclamation marka-Biphenyl]-3-carboxylic acid, 4 inverted exclamation marka-chloro-5-methoxy-2 inverted exclamation marka-methyl-
Database identifiers
- CAS
1261958-92-2- PubChem CID
- 53226751
- DTXSID
DTXSID00690369
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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