Basic information
- CAS
618866-92-5- Standard SMILES
O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccc(OCc2ccccc2)cc1)c1cc2ccccc2o1- InChIKey
OVMYEZKEGRYSKD-UHFFFAOYSA-N- Molecular formula
- C33H25NO5
- Average molar mass
- 515.6 g/mol
Names & identifiers
- Preferred name
- 4-(1-benzofuran-2-ylcarbonyl)-1-benzyl-5-[4-(benzyloxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- IUPAC
- 3-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-one
- English name
- 4-(1-benzofuran-2-ylcarbonyl)-1-benzyl-5-[4-(benzyloxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one
- Molecular formula
- C33H25NO5
- Molecular weight
- 515.56
Names & synonyms
4-(1-benzofuran-2-ylcarbonyl)-1-benzyl-5-[4-(benzyloxy)phenyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-oneSTK704414AKOS002236816AKOS0160802793-(1-benzofuran-2-carbonyl)-1-benzyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-2H-pyrrol-5-oneAF-399/420177872H-Pyrrol-2-one, 4-(2-benzofuranylcarbonyl)-1,5-dihydro-3-hydroxy-5-[4-(phenylmethoxy)phenyl]-1-(phenylmethyl)-
Database identifiers
- CAS
618866-92-5
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 896
Physicochemical properties
- Boiling point
- 737.4 · 737.4±60.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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