ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate

C14H14NO7P — CID 66973952

IUPACethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate
SMILESCCOP(=O)(Oc1ccccc1O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H14NO7P/c1-2-20-23(19,22-14-10-6-4-8-12(14)16)21-13-9-5-3-7-11(13)15(17)18/h3-10,16H,2H2,1H3
InChIKeyUEQVVOMFILZHBB-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.90
Rot. Bonds7

About ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate

ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate (PubChem CID 66973952) has the molecular formula C14H14NO7P and a molecular weight of 339.24 g/mol. Its IUPAC name is ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate.

Molecular Properties

Compound Nameethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate
PubChem CID66973952
Molecular FormulaC14H14NO7P
Molecular Weight339.24 g/mol
Exact Mass339.05
IUPAC Nameethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate
SMILESCCOP(=O)(Oc1ccccc1O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H14NO7P/c1-2-20-23(19,22-14-10-6-4-8-12(14)16)21-13-9-5-3-7-11(13)15(17)18/h3-10,16H,2H2,1H3
InChIKeyUEQVVOMFILZHBB-UHFFFAOYSA-N
XLogP3.90
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[ethoxy(methyl)phosphoryl]oxy-2-nitrobenzene
CID 87411362
1-[ethoxy-(2-nitrophenoxy)phosphoryl]-2-ethylbenzene
CID 71386557
methyl (2-nitrophenyl) hydrogen phosphate
CID 131852175
[methyl-(2-nitrophenoxy)phosphoryl] dihydrogen phosphate
CID 101078383
difluoro-(2-nitrophenoxy)-sulfanylidene-λ5-phosphane
CID 165355149
(S)-diethoxyphosphoryl-(2-nitrophenyl)methanol
CID 2313635
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
ethoxy (2-nitrophenyl) carbonate
CID 88781671
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
methanol;2-nitrophenol
CID 157303764

Frequently Asked Questions

What is the IUPAC name of ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate?
The IUPAC name of ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate (CID 66973952) is ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate.
What is the SMILES notation for ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate?
The canonical SMILES for ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate is CCOP(=O)(Oc1ccccc1O)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate?
The InChIKey is UEQVVOMFILZHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO7P/c1-2-20-23(19,22-14-10-6-4-8-12(14)16)21-13-9-5-3-7-11(13)15(17)18/h3-10,16H,2H2,1H3.
What are the key properties of ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate?
ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate has a molecular weight of 339.24 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate is sourced from PubChem (CID 66973952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).