Metbufen
Basic information
- CAS
63472-04-8- Standard SMILES
CC(CC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O- InChIKey
FDRDUFLWFSLNFT-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- Metbufen
- IUPAC
- 2-methyl-4-oxo-4-(4-phenylphenyl)butanoic acid
- English name
- Metbufen
- Molecular formula
- C17H16O3
- Molecular weight
- 268.31
Names & synonyms
Metbufen63472-04-8MetbufeneMetbufenum8AE88M5N5V3-(4-Biphenylylcarbonyl)-2-methylpropionic acidRefChem:925559Metbufen [INN]2-methyl-4-oxo-4-(4-phenylphenyl)butanoic acidMetbufen, (+)[1,1'-Biphenyl]-4-butanoicacid, a-methyl-g-oxo-F372F479MC
Show more names
α-Methyl-γ-oxo[1,1'-biphenyl]-4-butanoic acid[1,1'-Biphenyl]-4-butanoic acid, α-methyl-γ-oxo-
4-([1,1'-Biphenyl]-4-yl)-2-methyl-4-oxobutanoic acidMetbufeno67959-67-5Metbufene [French]Metbufenum [Latin]Metbufene [INN-French]Metbufenum [INN-Latin]Metbufeno [INN-Spanish]
Database identifiers
- CAS
63472-04-8、67959-67-5- PubChem CID
- 68823
- DTXSID
DTXSID60867015- ChEMBL
CHEMBL2107150- UNII
- 8AE88M5N5V、F372F479MC、G33LT85LB9
- Nikkaji
- J19.493J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
LogP3.13
Physicochemical properties
- FDA UNII
- 8 AE88M5N5V · 8AE88M5N5V
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Related reactions
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Compound notes
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