Methyl 3-{5-[(benzoyloxy)methyl]-2-furyl}-2-thiophenecarboxylate
Basic information
- CAS
320418-00-6- Standard SMILES
COC(=O)c1sccc1-c1ccc(COC(=O)c2ccccc2)o1- InChIKey
IYDUFWJLOLJDKH-UHFFFAOYSA-N- Molecular formula
- C18H14O5S
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.05619472
Names & identifiers
- Preferred name
- Methyl 3-{5-[(benzoyloxy)methyl]-2-furyl}-2-thiophenecarboxylate
- IUPAC
- methyl 3-[5-(benzoyloxymethyl)furan-2-yl]thiophene-2-carboxylate
- English name
- METHYL 3-(5-[(BENZOYLOXY)METHYL]-2-FURYL)-2-THIOPHENECARBOXYLATE
- Molecular formula
- C18H14O5S
- Molecular weight
- 342.37
Names & synonyms
320418-00-6methyl 3-{5-[(benzoyloxy)methyl]-2-furyl}-2-thiophenecarboxylatemethyl 3-{5-[(benzoyloxy)methyl]furan-2-yl}thiophene-2-carboxylatemethyl 3-[5-(benzoyloxymethyl)furan-2-yl]thiophene-2-carboxylateAKOS0050818501E-095methyl3-{5-[(benzoyloxy)methyl]furan-2-yl}thiophene-2-carboxylateMETHYL 3-(5-[(BENZOYLOXY)METHYL]-2-FURYL)-2-THIOPHENECARBOXYLATE2-Thiophenecarboxylic acid, 3-[5-[(benzoyloxy)methyl]-2-furanyl]-, methyl ester
Database identifiers
- CAS
320418-00-6- PubChem CID
- 1480477
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Boiling point
- 463 · 463.0±45.0 °C(Predicted)
- Density
- 1.299 · 1.299±0.06 g/cm3(Predicted)
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Compound notes
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