[diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate

C12H18NO6P — CID 4986218

IUPAC[diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate
SMILESCCOP(=O)(OCC)C(OC(N)=O)c1ccccc1O
InChIInChI=1S/C12H18NO6P/c1-3-17-20(16,18-4-2)11(19-12(13)15)9-7-5-6-8-10(9)14/h5-8,11,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyZTQWROGBBJCCHM-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.75
Rot. Bonds7

About [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate

[diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate (PubChem CID 4986218) has the molecular formula C12H18NO6P and a molecular weight of 303.25 g/mol. Its IUPAC name is [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate.

Molecular Properties

Compound Name[diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate
PubChem CID4986218
Molecular FormulaC12H18NO6P
Molecular Weight303.25 g/mol
Exact Mass303.09
IUPAC Name[diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate
SMILESCCOP(=O)(OCC)C(OC(N)=O)c1ccccc1O
InChIInChI=1S/C12H18NO6P/c1-3-17-20(16,18-4-2)11(19-12(13)15)9-7-5-6-8-10(9)14/h5-8,11,14H,3-4H2,1-2H3,(H2,13,15)
InChIKeyZTQWROGBBJCCHM-UHFFFAOYSA-N
XLogP2.75
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate?
The IUPAC name of [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate (CID 4986218) is [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate.
What is the SMILES notation for [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate?
The canonical SMILES for [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate is CCOP(=O)(OCC)C(OC(N)=O)c1ccccc1O.
What is the InChIKey of [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate?
The InChIKey is ZTQWROGBBJCCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO6P/c1-3-17-20(16,18-4-2)11(19-12(13)15)9-7-5-6-8-10(9)14/h5-8,11,14H,3-4H2,1-2H3,(H2,13,15).
What are the key properties of [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate?
[diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate has a molecular weight of 303.25 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxyphosphoryl-(2-hydroxyphenyl)methyl] carbamate is sourced from PubChem (CID 4986218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).