(3-Acetyl-2-methyl-1-benzofuran-5-yl) 4-methylbenzoate
Basic information
- CAS
326612-00-4- Standard SMILES
CC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C)cc3)cc12- InChIKey
BCNARJZUYORLSJ-UHFFFAOYSA-N- Molecular formula
- C19H16O4
- Average molar mass
- 308.3 g/mol
Names & identifiers
- Preferred name
- (3-Acetyl-2-methyl-1-benzofuran-5-yl) 4-methylbenzoate
- IUPAC
- (3-acetyl-2-methyl-1-benzofuran-5-yl) 4-methylbenzoate
- English name
- 3-acetyl-2-methyl-1-benzofuran-5-yl 4-methylbenzoate
- Molecular formula
- C19H16O4
- Molecular weight
- 308.33
Names & synonyms
(3-acetyl-2-methyl-1-benzofuran-5-yl) 4-methylbenzoate326612-00-43-acetyl-2-methyl-1-benzofuran-5-yl 4-methylbenzoate3-acetyl-2-methylbenzofuran-5-yl 4-methylbenzoateSTK613891AKOS001026445AE-848/11420530Z56176191Benzoic acid, 4-methyl-, 3-acetyl-2-methyl-5-benzofuranyl ester
Database identifiers
- CAS
326612-00-4
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Boiling point
- 476.5 · 476.5±45.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
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Compound notes
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