[dimethoxyphosphoryl(nitroso)methyl]benzene

C9H12NO4P — CID 56977499

IUPAC[dimethoxyphosphoryl(nitroso)methyl]benzene
SMILESCOP(=O)(OC)C(N=O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c1-13-15(12,14-2)9(10-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyIBBOVHCZHCBUQD-UHFFFAOYSA-N
MW229.17 g/mol
LogP2.94
Rot. Bonds5

About [dimethoxyphosphoryl(nitroso)methyl]benzene

[dimethoxyphosphoryl(nitroso)methyl]benzene (PubChem CID 56977499) has the molecular formula C9H12NO4P and a molecular weight of 229.17 g/mol. Its IUPAC name is [dimethoxyphosphoryl(nitroso)methyl]benzene.

Molecular Properties

Compound Name[dimethoxyphosphoryl(nitroso)methyl]benzene
PubChem CID56977499
Molecular FormulaC9H12NO4P
Molecular Weight229.17 g/mol
Exact Mass229.05
IUPAC Name[dimethoxyphosphoryl(nitroso)methyl]benzene
SMILESCOP(=O)(OC)C(N=O)c1ccccc1
InChIInChI=1S/C9H12NO4P/c1-13-15(12,14-2)9(10-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyIBBOVHCZHCBUQD-UHFFFAOYSA-N
XLogP2.94
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-1-dimethoxyphosphoryl-2-phenylpropan-1-ol
CID 125471602
methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
CID 129384892
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
N-(2-dimethoxyphosphoryl-2-phenylethylidene)methanethioamide
CID 123612882
(2S)-N-[(S)-dimethoxyphosphoryl(phenyl)methyl]-3,3-dimethylbutan-2-amine
CID 50924024
[dimethoxyphosphoryl(phenyl)methyl] acetate
CID 10923196
N-[dimethoxyphosphoryl(phenyl)methyl]-2,5-dimethylaniline
CID 3093271
[(1R)-1-dimethoxyphosphoryl-2-nitroethyl]benzene
CID 102025909
[(1S)-1-dimethoxyphosphoryl-2-nitroethyl]benzene
CID 102025910
2-dimethoxyphosphoryl-N-[(1S)-1-phenylethyl]propanamide
CID 11737708
[butylsulfanyl(dimethoxyphosphoryl)methyl]benzene
CID 134988887
(2-dimethoxyphosphoryl-1-phenylpropyl) acetate
CID 122399816

Frequently Asked Questions

What is the IUPAC name of [dimethoxyphosphoryl(nitroso)methyl]benzene?
The IUPAC name of [dimethoxyphosphoryl(nitroso)methyl]benzene (CID 56977499) is [dimethoxyphosphoryl(nitroso)methyl]benzene.
What is the SMILES notation for [dimethoxyphosphoryl(nitroso)methyl]benzene?
The canonical SMILES for [dimethoxyphosphoryl(nitroso)methyl]benzene is COP(=O)(OC)C(N=O)c1ccccc1.
What is the InChIKey of [dimethoxyphosphoryl(nitroso)methyl]benzene?
The InChIKey is IBBOVHCZHCBUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO4P/c1-13-15(12,14-2)9(10-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of [dimethoxyphosphoryl(nitroso)methyl]benzene?
[dimethoxyphosphoryl(nitroso)methyl]benzene has a molecular weight of 229.17 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxyphosphoryl(nitroso)methyl]benzene is sourced from PubChem (CID 56977499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).