hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium

C7H7NO6P+ — CID 70218936

IUPAChydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium
SMILESO=[N+]([O-])c1ccccc1C(O)O[P+](=O)O
InChIInChI=1S/C7H6NO6P/c9-7(14-15(12)13)5-3-1-2-4-6(5)8(10)11/h1-4,7,9H/p+1
InChIKeyDVMKCMPTKNSWJQ-UHFFFAOYSA-O
MW232.11 g/mol
LogP1.25
Rot. Bonds4

About hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium

hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium (PubChem CID 70218936) has the molecular formula C7H7NO6P+ and a molecular weight of 232.11 g/mol. Its IUPAC name is hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium
PubChem CID70218936
Molecular FormulaC7H7NO6P+
Molecular Weight232.11 g/mol
Exact Mass232.00
IUPAC Namehydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium
SMILESO=[N+]([O-])c1ccccc1C(O)O[P+](=O)O
InChIInChI=1S/C7H6NO6P/c9-7(14-15(12)13)5-3-1-2-4-6(5)8(10)11/h1-4,7,9H/p+1
InChIKeyDVMKCMPTKNSWJQ-UHFFFAOYSA-O
XLogP1.25
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2,2,2-trichloro-1-(2-nitrophenyl)ethanol
CID 11207975
(2-nitrophenyl)-(oxiran-2-yl)methanol
CID 91127425
methyl (2S)-2-hydroxy-2-(2-nitrophenyl)acetate
CID 7054379
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
2-(2-nitrophenyl)propanedioic acid
CID 18413218
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
1,3-dibromo-1,3-bis(2-nitrophenyl)propan-2-one
CID 101219469
methyl (2S,3R)-2,3-dihydroxy-3-(2-nitrophenyl)propanoate
CID 90019008
(2-nitrophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 45103211
diphenylphosphanyl-(2-nitrophenyl)methanol
CID 91174471

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium?
The IUPAC name of hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium (CID 70218936) is hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium is O=[N+]([O-])c1ccccc1C(O)O[P+](=O)O.
What is the InChIKey of hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium?
The InChIKey is DVMKCMPTKNSWJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6NO6P/c9-7(14-15(12)13)5-3-1-2-4-6(5)8(10)11/h1-4,7,9H/p+1.
What are the key properties of hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium?
hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium has a molecular weight of 232.11 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy-(2-nitrophenyl)methoxy]-oxophosphanium is sourced from PubChem (CID 70218936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).