2-diphenylphosphoryl-6-nitrophenol

C18H14NO4P — CID 3678150

IUPAC2-diphenylphosphoryl-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C18H14NO4P/c20-18-16(19(21)22)12-7-13-17(18)24(23,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,20H
InChIKeyCSMLPTNBZLGGBF-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.94
Rot. Bonds4

About 2-diphenylphosphoryl-6-nitrophenol

2-diphenylphosphoryl-6-nitrophenol (PubChem CID 3678150) has the molecular formula C18H14NO4P and a molecular weight of 339.29 g/mol. Its IUPAC name is 2-diphenylphosphoryl-6-nitrophenol.

Molecular Properties

Compound Name2-diphenylphosphoryl-6-nitrophenol
PubChem CID3678150
Molecular FormulaC18H14NO4P
Molecular Weight339.29 g/mol
Exact Mass339.07
IUPAC Name2-diphenylphosphoryl-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C18H14NO4P/c20-18-16(19(21)22)12-7-13-17(18)24(23,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,20H
InChIKeyCSMLPTNBZLGGBF-UHFFFAOYSA-N
XLogP2.94
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.94
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

2-diphenylphosphorylphenol
CID 626229
2-hydroxy-3-nitrobenzohydrazide
CID 11367606
2,6-diaminophenol;2,6-dinitrophenol
CID 161330338
2-(2-hydroxy-3-nitrophenyl)benzoic acid
CID 150610038
2,4,6-trinitrophenol;triphenyl(sulfanylidene)-λ5-phosphane
CID 87917711
2-nitro-6-(2-phenylethenyl)phenol
CID 57159436
1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene
CID 19587731
(2-hydroxy-3-nitrophenyl)boronic acid
CID 91825807
CID 58418423
CID 58418423
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-6-nitrophenol?
The IUPAC name of 2-diphenylphosphoryl-6-nitrophenol (CID 3678150) is 2-diphenylphosphoryl-6-nitrophenol.
What is the SMILES notation for 2-diphenylphosphoryl-6-nitrophenol?
The canonical SMILES for 2-diphenylphosphoryl-6-nitrophenol is O=[N+]([O-])c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 2-diphenylphosphoryl-6-nitrophenol?
The InChIKey is CSMLPTNBZLGGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14NO4P/c20-18-16(19(21)22)12-7-13-17(18)24(23,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,20H.
What are the key properties of 2-diphenylphosphoryl-6-nitrophenol?
2-diphenylphosphoryl-6-nitrophenol has a molecular weight of 339.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-6-nitrophenol is sourced from PubChem (CID 3678150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).