Basic information
- CAS
158723-32-1- Standard SMILES
Cc1cccc(OC(=O)c2ccc(-c3ccccc3)cc2)c1C- InChIKey
DNYULQLMOGMZRF-UHFFFAOYSA-N- Molecular formula
- C21H18O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.13067981
Names & identifiers
- Preferred name
- (2,3-Dimethylphenyl) 4-phenylbenzoate
- IUPAC
- (2,3-dimethylphenyl) 4-phenylbenzoate
- English name
- 2,3-dimethylphenyl [1,1'-biphenyl]-4-carboxylate
- Molecular formula
- C21H18O2
- Molecular weight
- 302.37
Names & synonyms
2,3-dimethylphenyl [1,1'-biphenyl]-4-carboxylate(2,3-dimethylphenyl) 4-phenylbenzoateAKOS003442050AN-652/10785061[1,1'-Biphenyl]-4-carboxylic acid, 2,3-dimethylphenyl ester
Database identifiers
- CAS
158723-32-1- PubChem CID
- 1228166
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 377
Physicochemical properties
- Boiling point
- 485.8 · 485.8±34.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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