Basic information
- Standard SMILES
COC(=O)CCC(=O)c1ccc(-c2ccc(C)cc2)cc1- InChIKey
JVBRGAYKNZJBFN-UHFFFAOYSA-N- Molecular formula
- C18H18O3
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.12559443
Names & identifiers
- Preferred name
- 4-(4'-Methyl-biphenyl-4-yl)-4-oxo-butyric acid, methyl ester
- IUPAC
- methyl 4-[4-(4-methylphenyl)phenyl]-4-oxobutanoate
Names & synonyms
SCHEMBL7865396JVBRGAYKNZJBFN-UHFFFAOYSA-N4-(4'-methyl-biphenyl-4-yl)-4-oxo-butyric acid, methyl ester
Database identifiers
- PubChem CID
- 70211563
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Related reactions
4 records
Compound notes
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