hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane

C7H7NO5SSe — CID 90477499

IUPAChydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane
SMILESO=[N+]([O-])c1ccc(COS(=O)(O)=[Se])cc1
InChIInChI=1S/C7H7NO5SSe/c9-8(10)7-3-1-6(2-4-7)5-13-14(11,12)15/h1-4H,5H2,(H,11,12,15)
InChIKeyNCAKPVAOYLFWJC-UHFFFAOYSA-N
MW296.16 g/mol
LogP0.87
Rot. Bonds4

About hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane

hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane (PubChem CID 90477499) has the molecular formula C7H7NO5SSe and a molecular weight of 296.16 g/mol. Its IUPAC name is hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane.

Molecular Properties

Compound Namehydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane
PubChem CID90477499
Molecular FormulaC7H7NO5SSe
Molecular Weight296.16 g/mol
Exact Mass296.92
IUPAC Namehydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane
SMILESO=[N+]([O-])c1ccc(COS(=O)(O)=[Se])cc1
InChIInChI=1S/C7H7NO5SSe/c9-8(10)7-3-1-6(2-4-7)5-13-14(11,12)15/h1-4H,5H2,(H,11,12,15)
InChIKeyNCAKPVAOYLFWJC-UHFFFAOYSA-N
XLogP0.87
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl)methyl (4-methylphenyl)methanesulfonate
CID 122480252
(4-nitrophenyl)methoxyboronic acid
CID 11116985
1-nitro-4-(phosphorosooxymethyl)benzene
CID 58371231
1-(cyclopropyloxymethyl)-4-nitrobenzene
CID 171836486
potassium 2-(4-nitrophenyl)acetate
CID 15261201
bis[(4-nitrophenyl)methyl] (2R,3R)-2,3-dihydroxybutanedioate
CID 10432242
dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane
CID 57011547
3-methyl-3-[(4-nitrophenyl)methoxy]azetidine
CID 83067251
4-nitrobenzenesulfonic acid
CID 160847002
2-(4-nitrophenyl)ethylsulfanyl hydrogen sulfate
CID 140982790
2-[(4-nitrophenyl)methoxy]guanidine
CID 23036888
2-(4-nitrophenyl)ethyl methanesulfonate
CID 12942079

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane?
The IUPAC name of hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane (CID 90477499) is hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane.
What is the SMILES notation for hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane?
The canonical SMILES for hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane is O=[N+]([O-])c1ccc(COS(=O)(O)=[Se])cc1.
What is the InChIKey of hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane?
The InChIKey is NCAKPVAOYLFWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5SSe/c9-8(10)7-3-1-6(2-4-7)5-13-14(11,12)15/h1-4H,5H2,(H,11,12,15).
What are the key properties of hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane?
hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane has a molecular weight of 296.16 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(4-nitrophenyl)methoxy]-oxo-selanylidene-λ6-sulfane is sourced from PubChem (CID 90477499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).