1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene

C12H18NO5P — CID 90848416

IUPAC1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
SMILESCCOP(=O)(OCC)C(N=O)c1ccc(OC)cc1
InChIInChI=1S/C12H18NO5P/c1-4-17-19(15,18-5-2)12(13-14)10-6-8-11(16-3)9-7-10/h6-9,12H,4-5H2,1-3H3
InChIKeyCVXRLWGROPDJOS-UHFFFAOYSA-N
MW287.25 g/mol
LogP3.73
Rot. Bonds8

About 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene

1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene (PubChem CID 90848416) has the molecular formula C12H18NO5P and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
PubChem CID90848416
Molecular FormulaC12H18NO5P
Molecular Weight287.25 g/mol
Exact Mass287.09
IUPAC Name1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
SMILESCCOP(=O)(OCC)C(N=O)c1ccc(OC)cc1
InChIInChI=1S/C12H18NO5P/c1-4-17-19(15,18-5-2)12(13-14)10-6-8-11(16-3)9-7-10/h6-9,12H,4-5H2,1-3H3
InChIKeyCVXRLWGROPDJOS-UHFFFAOYSA-N
XLogP3.73
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
CID 6157504
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
CID 102580264
N-[bis(diethoxyphosphoryl)methyl]-4-methoxyaniline
CID 101468043
antimony(3+);bis(2-chloropropan-1-olate);diethoxyphosphoryl-(4-methoxyphenyl)methanolate
CID 102115420
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
4-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]morpholine
CID 101471387
(4-diethoxyphosphorylphenyl)-(4-methoxyphenyl)methanamine
CID 89463039
N-[bis(diethoxyphosphoryl)methyl]-4-(4-methoxyphenyl)sulfanylbutan-1-amine
CID 57166923
[dimethoxyphosphoryl(nitroso)methyl]benzene
CID 56977499
(1R)-2-diethoxyphosphoryl-2,2-difluoro-1-(4-methoxyphenyl)ethanamine
CID 177387905

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene?
The IUPAC name of 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene (CID 90848416) is 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene.
What is the SMILES notation for 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene?
The canonical SMILES for 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene is CCOP(=O)(OCC)C(N=O)c1ccc(OC)cc1.
What is the InChIKey of 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene?
The InChIKey is CVXRLWGROPDJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO5P/c1-4-17-19(15,18-5-2)12(13-14)10-6-8-11(16-3)9-7-10/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene?
1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene has a molecular weight of 287.25 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene is sourced from PubChem (CID 90848416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).