2-(2-nitrophenyl)ethyl hydrogen phosphate

C8H9NO6P- — CID 173144888

IUPAC2-(2-nitrophenyl)ethyl hydrogen phosphate
SMILESO=[N+]([O-])c1ccccc1CCOP(=O)([O-])O
InChIInChI=1S/C8H10NO6P/c10-9(11)8-4-2-1-3-7(8)5-6-15-16(12,13)14/h1-4H,5-6H2,(H2,12,13,14)/p-1
InChIKeyLUEVFLFUJHCFGU-UHFFFAOYSA-M
MW246.13 g/mol
LogP0.61
Rot. Bonds5

About 2-(2-nitrophenyl)ethyl hydrogen phosphate

2-(2-nitrophenyl)ethyl hydrogen phosphate (PubChem CID 173144888) has the molecular formula C8H9NO6P- and a molecular weight of 246.13 g/mol. Its IUPAC name is 2-(2-nitrophenyl)ethyl hydrogen phosphate.

Molecular Properties

Compound Name2-(2-nitrophenyl)ethyl hydrogen phosphate
PubChem CID173144888
Molecular FormulaC8H9NO6P-
Molecular Weight246.13 g/mol
Exact Mass246.02
IUPAC Name2-(2-nitrophenyl)ethyl hydrogen phosphate
SMILESO=[N+]([O-])c1ccccc1CCOP(=O)([O-])O
InChIInChI=1S/C8H10NO6P/c10-9(11)8-4-2-1-3-7(8)5-6-15-16(12,13)14/h1-4H,5-6H2,(H2,12,13,14)/p-1
InChIKeyLUEVFLFUJHCFGU-UHFFFAOYSA-M
XLogP0.61
TPSA112.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745
2-(2-nitrophenyl)ethyl hydrogen sulfate
CID 87721452
ethane;1-(3-methoxypropyl)-2-nitrobenzene
CID 91018205
phosphono 4-(2-nitrophenyl)butanoate
CID 175249180
(2-nitrophenyl)methanol
CID 11923
1-[2-[2-(2-nitrophenyl)ethoxy]phenyl]ethanol
CID 63062121
methanol;(2-nitrophenyl)methanol
CID 70046885
1-(2-chloro-2-diethoxyphosphorylethyl)-2-nitrobenzene
CID 174578968
2-[(2-nitrophenyl)methyl]phenol
CID 22062598
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
3-(2-nitrophenyl)propan-1-amine
CID 15715793
N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
CID 82722032

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)ethyl hydrogen phosphate?
The IUPAC name of 2-(2-nitrophenyl)ethyl hydrogen phosphate (CID 173144888) is 2-(2-nitrophenyl)ethyl hydrogen phosphate.
What is the SMILES notation for 2-(2-nitrophenyl)ethyl hydrogen phosphate?
The canonical SMILES for 2-(2-nitrophenyl)ethyl hydrogen phosphate is O=[N+]([O-])c1ccccc1CCOP(=O)([O-])O.
What is the InChIKey of 2-(2-nitrophenyl)ethyl hydrogen phosphate?
The InChIKey is LUEVFLFUJHCFGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10NO6P/c10-9(11)8-4-2-1-3-7(8)5-6-15-16(12,13)14/h1-4H,5-6H2,(H2,12,13,14)/p-1.
What are the key properties of 2-(2-nitrophenyl)ethyl hydrogen phosphate?
2-(2-nitrophenyl)ethyl hydrogen phosphate has a molecular weight of 246.13 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)ethyl hydrogen phosphate is sourced from PubChem (CID 173144888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).