[methoxy(phenyl)phosphoryl] methanesulfinate

C8H11O4PS — CID 134992786

IUPAC[methoxy(phenyl)phosphoryl] methanesulfinate
SMILESCOP(=O)(OS(C)=O)c1ccccc1
InChIInChI=1S/C8H11O4PS/c1-11-13(9,12-14(2)10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyCFSQJDGJQFIMGL-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.46
Rot. Bonds4

About [methoxy(phenyl)phosphoryl] methanesulfinate

[methoxy(phenyl)phosphoryl] methanesulfinate (PubChem CID 134992786) has the molecular formula C8H11O4PS and a molecular weight of 234.21 g/mol. Its IUPAC name is [methoxy(phenyl)phosphoryl] methanesulfinate.

Molecular Properties

Compound Name[methoxy(phenyl)phosphoryl] methanesulfinate
PubChem CID134992786
Molecular FormulaC8H11O4PS
Molecular Weight234.21 g/mol
Exact Mass234.01
IUPAC Name[methoxy(phenyl)phosphoryl] methanesulfinate
SMILESCOP(=O)(OS(C)=O)c1ccccc1
InChIInChI=1S/C8H11O4PS/c1-11-13(9,12-14(2)10)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyCFSQJDGJQFIMGL-UHFFFAOYSA-N
XLogP1.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
O-[aminooxy(phenyl)phosphoryl]hydroxylamine
CID 70403150
potassium methoxy(phenyl)phosphinate
CID 141246459
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
5-bromo-1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
CID 165351110
dipropoxyphosphorylbenzene
CID 11736632
[chloromethyl(methoxy)phosphoryl]benzene
CID 59938019
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
[methoxy-[(Z)-prop-1-enyl]phosphoryl]benzene
CID 23272961
anisole;[methoxy(methyl)phosphoryl]oxymethane
CID 175280701
[2-bromoethyl(methoxy)phosphoryl]benzene
CID 101393723

Frequently Asked Questions

What is the IUPAC name of [methoxy(phenyl)phosphoryl] methanesulfinate?
The IUPAC name of [methoxy(phenyl)phosphoryl] methanesulfinate (CID 134992786) is [methoxy(phenyl)phosphoryl] methanesulfinate.
What is the SMILES notation for [methoxy(phenyl)phosphoryl] methanesulfinate?
The canonical SMILES for [methoxy(phenyl)phosphoryl] methanesulfinate is COP(=O)(OS(C)=O)c1ccccc1.
What is the InChIKey of [methoxy(phenyl)phosphoryl] methanesulfinate?
The InChIKey is CFSQJDGJQFIMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4PS/c1-11-13(9,12-14(2)10)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of [methoxy(phenyl)phosphoryl] methanesulfinate?
[methoxy(phenyl)phosphoryl] methanesulfinate has a molecular weight of 234.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy(phenyl)phosphoryl] methanesulfinate is sourced from PubChem (CID 134992786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).