1-[methoxy(methyl)phosphoryl]-2-nitrobenzene

C8H10NO4P — CID 126564149

IUPAC1-[methoxy(methyl)phosphoryl]-2-nitrobenzene
SMILESCOP(C)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10NO4P/c1-13-14(2,12)8-6-4-3-5-7(8)9(10)11/h3-6H,1-2H3
InChIKeyUGSZBTQJEWDOCH-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.77
Rot. Bonds3

About 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene

1-[methoxy(methyl)phosphoryl]-2-nitrobenzene (PubChem CID 126564149) has the molecular formula C8H10NO4P and a molecular weight of 215.15 g/mol. Its IUPAC name is 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene.

Molecular Properties

Compound Name1-[methoxy(methyl)phosphoryl]-2-nitrobenzene
PubChem CID126564149
Molecular FormulaC8H10NO4P
Molecular Weight215.15 g/mol
Exact Mass215.03
IUPAC Name1-[methoxy(methyl)phosphoryl]-2-nitrobenzene
SMILESCOP(C)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H10NO4P/c1-13-14(2,12)8-6-4-3-5-7(8)9(10)11/h3-6H,1-2H3
InChIKeyUGSZBTQJEWDOCH-UHFFFAOYSA-N
XLogP1.77
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.77
H-Bond Donors ≤ 50
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-[butyl(methoxy)phosphoryl]-2-nitrobenzene
CID 117059286
methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175
(2-nitrophenyl)-propylphosphinic acid
CID 126564276
1-[ethoxy(methyl)phosphoryl]oxy-2-nitrobenzene
CID 87411362
azanide;1,2-dinitrobenzene;platinum
CID 158959684
1-[ethoxy-(2-nitrophenoxy)phosphoryl]-2-ethylbenzene
CID 71386557
[methyl-(2-nitrophenoxy)phosphoryl] dihydrogen phosphate
CID 101078383
1-[bromo(dimethoxy)methyl]-2-nitrobenzene
CID 54203856
N-[(R)-dimethoxyphosphoryl-(2-nitrophenyl)methyl]aniline
CID 7369569
ethane;1-(3-methoxypropyl)-2-nitrobenzene
CID 91018205
(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711

Frequently Asked Questions

What is the IUPAC name of 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene?
The IUPAC name of 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene (CID 126564149) is 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene.
What is the SMILES notation for 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene?
The canonical SMILES for 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene is COP(C)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene?
The InChIKey is UGSZBTQJEWDOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO4P/c1-13-14(2,12)8-6-4-3-5-7(8)9(10)11/h3-6H,1-2H3.
What are the key properties of 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene?
1-[methoxy(methyl)phosphoryl]-2-nitrobenzene has a molecular weight of 215.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methoxy(methyl)phosphoryl]-2-nitrobenzene is sourced from PubChem (CID 126564149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).