bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol

C11H18N3O4P — CID 11616219

IUPACbis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol
SMILESCN(C)P(=O)(C(O)c1ccc([N+](=O)[O-])cc1)N(C)C
InChIInChI=1S/C11H18N3O4P/c1-12(2)19(18,13(3)4)11(15)9-5-7-10(8-6-9)14(16)17/h5-8,11,15H,1-4H3
InChIKeyVSOFZJFFGMUDMK-UHFFFAOYSA-N
MW287.26 g/mol
LogP1.90
Rot. Bonds5

About bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol

bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol (PubChem CID 11616219) has the molecular formula C11H18N3O4P and a molecular weight of 287.26 g/mol. Its IUPAC name is bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol.

Molecular Properties

Compound Namebis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol
PubChem CID11616219
Molecular FormulaC11H18N3O4P
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Namebis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol
SMILESCN(C)P(=O)(C(O)c1ccc([N+](=O)[O-])cc1)N(C)C
InChIInChI=1S/C11H18N3O4P/c1-12(2)19(18,13(3)4)11(15)9-5-7-10(8-6-9)14(16)17/h5-8,11,15H,1-4H3
InChIKeyVSOFZJFFGMUDMK-UHFFFAOYSA-N
XLogP1.90
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 51.90
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

bis(4-nitrophenyl)methanol
CID 12768612
(1S,2S)-2-(dimethylamino)-1-(4-nitrophenyl)propane-1,3-diol
CID 2063355
1-amino-1-(4-nitrophenyl)propan-2-ol
CID 55268505
2-(4-nitrophenyl)propylphosphonic acid
CID 174308043
3-[hydroxy-(4-nitrophenyl)methyl]but-3-en-2-one
CID 11138668
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
2-(dimethylamino)-2-(4-nitrophenyl)ethanethioamide
CID 84749796
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607
3-hydroxy-3-(4-nitrophenyl)propanenitrile
CID 11735665
3-[[2-hydroxy-2-(4-nitrophenyl)ethyl]-methylamino]propanoic acid
CID 82215952
1-(1-iodoethyl)-4-nitrobenzene
CID 16663559
1-(dimethylamino)-1-(4-nitrophenyl)butan-2-one
CID 67724931

Frequently Asked Questions

What is the IUPAC name of bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol?
The IUPAC name of bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol (CID 11616219) is bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol.
What is the SMILES notation for bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol?
The canonical SMILES for bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol is CN(C)P(=O)(C(O)c1ccc([N+](=O)[O-])cc1)N(C)C.
What is the InChIKey of bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol?
The InChIKey is VSOFZJFFGMUDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3O4P/c1-12(2)19(18,13(3)4)11(15)9-5-7-10(8-6-9)14(16)17/h5-8,11,15H,1-4H3.
What are the key properties of bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol?
bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol has a molecular weight of 287.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol is sourced from PubChem (CID 11616219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).