hydroxy-[(4-nitrophenyl)methyl]phosphinate

C7H7NO5P- — CID 39843016

IUPAChydroxy-[(4-nitrophenyl)methyl]phosphinate
SMILESO=[N+]([O-])c1ccc(CP(=O)([O-])O)cc1
InChIInChI=1S/C7H8NO5P/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13/h1-4H,5H2,(H2,11,12,13)/p-1
InChIKeyFZNXRFYRXBFQMX-UHFFFAOYSA-M
MW216.11 g/mol
LogP0.64
Rot. Bonds3

About hydroxy-[(4-nitrophenyl)methyl]phosphinate

hydroxy-[(4-nitrophenyl)methyl]phosphinate (PubChem CID 39843016) has the molecular formula C7H7NO5P- and a molecular weight of 216.11 g/mol. Its IUPAC name is hydroxy-[(4-nitrophenyl)methyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[(4-nitrophenyl)methyl]phosphinate
PubChem CID39843016
Molecular FormulaC7H7NO5P-
Molecular Weight216.11 g/mol
Exact Mass216.01
IUPAC Namehydroxy-[(4-nitrophenyl)methyl]phosphinate
SMILESO=[N+]([O-])c1ccc(CP(=O)([O-])O)cc1
InChIInChI=1S/C7H8NO5P/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13/h1-4H,5H2,(H2,11,12,13)/p-1
InChIKeyFZNXRFYRXBFQMX-UHFFFAOYSA-M
XLogP0.64
TPSA103.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 50.64
H-Bond Donors ≤ 51
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

(4-nitrophenyl)methyl-phenylphosphinic acid
CID 10446198
dihydroxy(oxo)phosphanium;hydroxy-[2-(4-nitrophenyl)ethyl]phosphinate
CID 173165944
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
bis[2-(4-nitrophenyl)ethyl] hydrogen phosphate
CID 11294928
dideuterio-(4-nitrophenyl)methanol
CID 10241023
potassium 2-(4-nitrophenyl)acetate
CID 15261201
dihydroxy-[(4-nitrophenyl)methoxy]-sulfanylidene-λ5-phosphane
CID 57011547
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
[tris(4-nitrophenyl)-λ4-sulfanyl]phosphonic acid
CID 57251806
1-(hydroxysulfanylmethyl)-4-nitrobenzene
CID 163691163
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
methyl bis[(4-nitrophenyl)methoxy]phosphorylformate
CID 15680413

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(4-nitrophenyl)methyl]phosphinate?
The IUPAC name of hydroxy-[(4-nitrophenyl)methyl]phosphinate (CID 39843016) is hydroxy-[(4-nitrophenyl)methyl]phosphinate.
What is the SMILES notation for hydroxy-[(4-nitrophenyl)methyl]phosphinate?
The canonical SMILES for hydroxy-[(4-nitrophenyl)methyl]phosphinate is O=[N+]([O-])c1ccc(CP(=O)([O-])O)cc1.
What is the InChIKey of hydroxy-[(4-nitrophenyl)methyl]phosphinate?
The InChIKey is FZNXRFYRXBFQMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8NO5P/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13/h1-4H,5H2,(H2,11,12,13)/p-1.
What are the key properties of hydroxy-[(4-nitrophenyl)methyl]phosphinate?
hydroxy-[(4-nitrophenyl)methyl]phosphinate has a molecular weight of 216.11 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(4-nitrophenyl)methyl]phosphinate is sourced from PubChem (CID 39843016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).