About bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese
bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese (PubChem CID 135869870) has the molecular formula C48H50MnN6O8
and a molecular weight of 893.90 g/mol. Its IUPAC name is bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese.
Molecular Properties
| Compound Name | bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese |
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| PubChem CID | 135869870 |
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| Molecular Formula | C48H50MnN6O8 |
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| Molecular Weight | 893.90 g/mol |
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| Exact Mass | 893.31 |
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| IUPAC Name | bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese |
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| SMILES | CCOC1Oc2ccc(C)cc2C(O)=C1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O.CCOC1Oc2ccc(C)cc2C(O)=C1/C=N\c1c(C)n(C)n(-c2ccccc2)c1=O.[Mn] |
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| InChI | InChI=1S/2C24H25N3O4.Mn/c2*1-5-30-24-19(22(28)18-13-15(2)11-12-20(18)31-24)14-25-21-16(3)26(4)27(23(21)29)17-9-7-6-8-10-17;/h2*6-14,24,28H,5H2,1-4H3;/b25-14+;25-14-; |
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| InChIKey | VZDMHWLEIPURLH-VAQCHLJASA-N |
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| XLogP | 8.44 |
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| TPSA | 155.96 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 14 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 63 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 893.90 |
| LogP ≤ 5 | 8.44 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese?
The IUPAC name of bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese (CID 135869870) is bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese.
What is the SMILES notation for bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese?
The canonical SMILES for bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese is CCOC1Oc2ccc(C)cc2C(O)=C1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O.CCOC1Oc2ccc(C)cc2C(O)=C1/C=N\c1c(C)n(C)n(-c2ccccc2)c1=O.[Mn].
What is the InChIKey of bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese?
The InChIKey is VZDMHWLEIPURLH-VAQCHLJASA-N. The full InChI is InChI=1S/2C24H25N3O4.Mn/c2*1-5-30-24-19(22(28)18-13-15(2)11-12-20(18)31-24)14-25-21-16(3)26(4)27(23(21)29)17-9-7-6-8-10-17;/h2*6-14,24,28H,5H2,1-4H3;/b25-14+;25-14-;.
What are the key properties of bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese?
bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese has a molecular weight of 893.90 g/mol, XLogP of 8.44, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[(2-ethoxy-4-hydroxy-6-methyl-2H-chromen-3-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one);manganese is sourced from PubChem (CID 135869870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).