[4-(2-nitrophenoxy)phenyl]phosphonic acid

C12H10NO6P — CID 18506154

IUPAC[4-(2-nitrophenoxy)phenyl]phosphonic acid
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C12H10NO6P/c14-13(15)11-3-1-2-4-12(11)19-9-5-7-10(8-6-9)20(16,17)18/h1-8H,(H2,16,17,18)
InChIKeyAKHFMFQGVVKIFA-UHFFFAOYSA-N
MW295.19 g/mol
LogP2.19
Rot. Bonds4

About [4-(2-nitrophenoxy)phenyl]phosphonic acid

[4-(2-nitrophenoxy)phenyl]phosphonic acid (PubChem CID 18506154) has the molecular formula C12H10NO6P and a molecular weight of 295.19 g/mol. Its IUPAC name is [4-(2-nitrophenoxy)phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-(2-nitrophenoxy)phenyl]phosphonic acid
PubChem CID18506154
Molecular FormulaC12H10NO6P
Molecular Weight295.19 g/mol
Exact Mass295.02
IUPAC Name[4-(2-nitrophenoxy)phenyl]phosphonic acid
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C12H10NO6P/c14-13(15)11-3-1-2-4-12(11)19-9-5-7-10(8-6-9)20(16,17)18/h1-8H,(H2,16,17,18)
InChIKeyAKHFMFQGVVKIFA-UHFFFAOYSA-N
XLogP2.19
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-methylphenoxy)-2-nitrobenzene
CID 3377310
N-[4-(2-nitrophenoxy)phenyl]benzamide
CID 9110945
[2-(4-nitrophenoxy)phenyl]phosphonic acid
CID 170987908
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005
N-[[4-(2-nitrophenoxy)phenyl]methyl]propan-1-amine
CID 61030640
methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175
5-(2-nitrophenoxy)pyridine-2-carboxylic acid
CID 113321699
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
[methyl-(2-nitrophenoxy)phosphoryl] dihydrogen phosphate
CID 101078383
3-(2-nitrophenoxy)aniline
CID 12638058
[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252

Frequently Asked Questions

What is the IUPAC name of [4-(2-nitrophenoxy)phenyl]phosphonic acid?
The IUPAC name of [4-(2-nitrophenoxy)phenyl]phosphonic acid (CID 18506154) is [4-(2-nitrophenoxy)phenyl]phosphonic acid.
What is the SMILES notation for [4-(2-nitrophenoxy)phenyl]phosphonic acid?
The canonical SMILES for [4-(2-nitrophenoxy)phenyl]phosphonic acid is O=[N+]([O-])c1ccccc1Oc1ccc(P(=O)(O)O)cc1.
What is the InChIKey of [4-(2-nitrophenoxy)phenyl]phosphonic acid?
The InChIKey is AKHFMFQGVVKIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO6P/c14-13(15)11-3-1-2-4-12(11)19-9-5-7-10(8-6-9)20(16,17)18/h1-8H,(H2,16,17,18).
What are the key properties of [4-(2-nitrophenoxy)phenyl]phosphonic acid?
[4-(2-nitrophenoxy)phenyl]phosphonic acid has a molecular weight of 295.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-nitrophenoxy)phenyl]phosphonic acid is sourced from PubChem (CID 18506154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).