bis[(2-nitrophenyl)methoxy]-oxophosphanium

C14H12N2O7P+ — CID 11382580

IUPACbis[(2-nitrophenyl)methoxy]-oxophosphanium
SMILESO=[N+]([O-])c1ccccc1CO[P+](=O)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O7P/c17-15(18)13-7-3-1-5-11(13)9-22-24(21)23-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2/q+1
InChIKeyCWRJDJQEJTZQHM-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.89
Rot. Bonds8

About bis[(2-nitrophenyl)methoxy]-oxophosphanium

bis[(2-nitrophenyl)methoxy]-oxophosphanium (PubChem CID 11382580) has the molecular formula C14H12N2O7P+ and a molecular weight of 351.23 g/mol. Its IUPAC name is bis[(2-nitrophenyl)methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(2-nitrophenyl)methoxy]-oxophosphanium
PubChem CID11382580
Molecular FormulaC14H12N2O7P+
Molecular Weight351.23 g/mol
Exact Mass351.04
IUPAC Namebis[(2-nitrophenyl)methoxy]-oxophosphanium
SMILESO=[N+]([O-])c1ccccc1CO[P+](=O)OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O7P/c17-15(18)13-7-3-1-5-11(13)9-22-24(21)23-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2/q+1
InChIKeyCWRJDJQEJTZQHM-UHFFFAOYSA-N
XLogP3.89
TPSA121.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of bis[(2-nitrophenyl)methoxy]-oxophosphanium?
The IUPAC name of bis[(2-nitrophenyl)methoxy]-oxophosphanium (CID 11382580) is bis[(2-nitrophenyl)methoxy]-oxophosphanium.
What is the SMILES notation for bis[(2-nitrophenyl)methoxy]-oxophosphanium?
The canonical SMILES for bis[(2-nitrophenyl)methoxy]-oxophosphanium is O=[N+]([O-])c1ccccc1CO[P+](=O)OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of bis[(2-nitrophenyl)methoxy]-oxophosphanium?
The InChIKey is CWRJDJQEJTZQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O7P/c17-15(18)13-7-3-1-5-11(13)9-22-24(21)23-10-12-6-2-4-8-14(12)16(19)20/h1-8H,9-10H2/q+1.
What are the key properties of bis[(2-nitrophenyl)methoxy]-oxophosphanium?
bis[(2-nitrophenyl)methoxy]-oxophosphanium has a molecular weight of 351.23 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-nitrophenyl)methoxy]-oxophosphanium is sourced from PubChem (CID 11382580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).