diethoxyphosphorylmethylsulfonylbenzene

C11H17O5PS — CID 10891636

IUPACdiethoxyphosphorylmethylsulfonylbenzene
SMILESCCOP(=O)(CS(=O)(=O)c1ccccc1)OCC
InChIInChI=1S/C11H17O5PS/c1-3-15-17(12,16-4-2)10-18(13,14)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyRCSDMTWWPNXXPP-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.68
Rot. Bonds7

About diethoxyphosphorylmethylsulfonylbenzene

diethoxyphosphorylmethylsulfonylbenzene (PubChem CID 10891636) has the molecular formula C11H17O5PS and a molecular weight of 292.29 g/mol. Its IUPAC name is diethoxyphosphorylmethylsulfonylbenzene.

Molecular Properties

Compound Namediethoxyphosphorylmethylsulfonylbenzene
PubChem CID10891636
Molecular FormulaC11H17O5PS
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC Namediethoxyphosphorylmethylsulfonylbenzene
SMILESCCOP(=O)(CS(=O)(=O)c1ccccc1)OCC
InChIInChI=1S/C11H17O5PS/c1-3-15-17(12,16-4-2)10-18(13,14)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKeyRCSDMTWWPNXXPP-UHFFFAOYSA-N
XLogP2.68
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethylsulfonylbenzene?
The IUPAC name of diethoxyphosphorylmethylsulfonylbenzene (CID 10891636) is diethoxyphosphorylmethylsulfonylbenzene.
What is the SMILES notation for diethoxyphosphorylmethylsulfonylbenzene?
The canonical SMILES for diethoxyphosphorylmethylsulfonylbenzene is CCOP(=O)(CS(=O)(=O)c1ccccc1)OCC.
What is the InChIKey of diethoxyphosphorylmethylsulfonylbenzene?
The InChIKey is RCSDMTWWPNXXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O5PS/c1-3-15-17(12,16-4-2)10-18(13,14)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3.
What are the key properties of diethoxyphosphorylmethylsulfonylbenzene?
diethoxyphosphorylmethylsulfonylbenzene has a molecular weight of 292.29 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethylsulfonylbenzene is sourced from PubChem (CID 10891636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).