3-Biphenylacetic acid, 5-methoxy-4'-methyl-
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Basic information
- CAS
51028-92-3- Standard SMILES
COc1cc(CC(=O)O)cc(-c2ccc(C)cc2)c1- InChIKey
XFYRRXPNORLDHG-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- 3-Biphenylacetic acid, 5-methoxy-4'-methyl-
- IUPAC
- 2-[3-methoxy-5-(4-methylphenyl)phenyl]acetic acid
- English name
- 5-Methoxy-4'-methyl-3-biphenylacetic acid
- Molecular formula
- C16H16O3
- Molecular weight
- 256.3
Names & synonyms
51028-92-3BRN 21231175-Methoxy-4'-methyl-3-biphenylacetic acid3-BIPHENYLACETIC ACID, 5-METHOXY-4'-METHYL-DTXSID70199036RefChem:277121DTXCID001215272-(5-Methoxy-4'-methyl-[1,1'-biphenyl]-3-yl)acetic acidCHEMBL138495(5-Methoxy-4'-methyl[1,1'-biphenyl]-3-yl)acetic acid5-Methoxy-4'-methyl-1,1'-biphenyl-3-acetic acid[1,1'-Biphenyl]-3-acetic acid, 5-methoxy-4'-methyl-
Database identifiers
- CAS
51028-92-3- PubChem CID
- 39878
- DTXSID
DTXSID70199036- ChEMBL
CHEMBL138495- Nikkaji
- J79.007I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- 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
- 294
Related reactions
0 records
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Compound notes
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