3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium

C10H9N2O4+ — CID 10082183

IUPAC3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium
SMILESCOC1(OO)C(O)=C([N+]#N)c2ccccc21
InChIInChI=1S/C10H8N2O4/c1-15-10(16-14)7-5-3-2-4-6(7)8(12-11)9(10)13/h2-5H,1H3,(H-,13,14)/p+1
InChIKeyBNFZITJKXOZATF-UHFFFAOYSA-O
MW221.19 g/mol
LogP2.07
Rot. Bonds2

About 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium

3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium (PubChem CID 10082183) has the molecular formula C10H9N2O4+ and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium.

Molecular Properties

Compound Name3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium
PubChem CID10082183
Molecular FormulaC10H9N2O4+
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium
SMILESCOC1(OO)C(O)=C([N+]#N)c2ccccc21
InChIInChI=1S/C10H8N2O4/c1-15-10(16-14)7-5-3-2-4-6(7)8(12-11)9(10)13/h2-5H,1H3,(H-,13,14)/p+1
InChIKeyBNFZITJKXOZATF-UHFFFAOYSA-O
XLogP2.07
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

10-hydroperoxy-10-methoxyanthracen-9-one
CID 12601747
ethane;9-methoxy-9-methylfluorene
CID 91285741
1-hydroxy-3-oxoindene-2-diazonium
CID 4174837
(3-chloro-9-hydroperoxy-10-oxoanthracen-9-yl) 2-methylpropanoate
CID 156632122
10,10-di(propan-2-yloxy)phenanthren-9-one
CID 13402109
(2-methylphenyl) 2-(9-hydroperoxy-10-oxoanthracen-9-yl)oxyacetate
CID 156632120
methyl 2-(9-hydroperoxy-3-methyl-10-oxoanthracen-9-yl)oxyacetate
CID 156632186
9,9-dimethoxy-2-propan-2-ylthioxanthene 10-oxide
CID 67325680
10-ethoxy-10-hydroperoxy-2-methylanthracen-9-one
CID 156632250
(9-hydroperoxy-3-methyl-10-oxoanthracen-9-yl) 2-methylpropyl carbonate
CID 156632254
propan-2-yl 2-[9-(2-oxo-2-propan-2-yloxyethyl)fluoren-9-yl]acetate
CID 141442965
[9-[2-[9-(methoxycarbonyloxymethyl)fluoren-9-yl]ethyl]fluoren-9-yl]methyl methyl carbonate
CID 118345017

Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium?
The IUPAC name of 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium (CID 10082183) is 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium.
What is the SMILES notation for 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium?
The canonical SMILES for 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium is COC1(OO)C(O)=C([N+]#N)c2ccccc21.
What is the InChIKey of 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium?
The InChIKey is BNFZITJKXOZATF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8N2O4/c1-15-10(16-14)7-5-3-2-4-6(7)8(12-11)9(10)13/h2-5H,1H3,(H-,13,14)/p+1.
What are the key properties of 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium?
3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium has a molecular weight of 221.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxy-2-hydroxy-3-methoxyindene-1-diazonium is sourced from PubChem (CID 10082183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).