diphenoxymethylsulfonylphosphane

C13H13O4PS — CID 175034899

IUPACdiphenoxymethylsulfonylphosphane
SMILESO=S(=O)(P)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H13O4PS/c14-19(15,18)13(16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,18H2
InChIKeyFTSMYXFPNGMOFN-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.63
Rot. Bonds5

About diphenoxymethylsulfonylphosphane

diphenoxymethylsulfonylphosphane (PubChem CID 175034899) has the molecular formula C13H13O4PS and a molecular weight of 296.28 g/mol. Its IUPAC name is diphenoxymethylsulfonylphosphane.

Molecular Properties

Compound Namediphenoxymethylsulfonylphosphane
PubChem CID175034899
Molecular FormulaC13H13O4PS
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Namediphenoxymethylsulfonylphosphane
SMILESO=S(=O)(P)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H13O4PS/c14-19(15,18)13(16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,18H2
InChIKeyFTSMYXFPNGMOFN-UHFFFAOYSA-N
XLogP2.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-phenoxyethanesulfonyl chloride
CID 18351740
cesium;hydride;phosphanylsulfonyloxybenzene
CID 174330108
1-methoxyethoxybenzene
CID 18188895
magnesium;1-phenoxyethanol;sulfate
CID 159781449
1-(trifluoromethylsulfonyl)propoxybenzene
CID 67622451
2-phenoxypropanedial
CID 54237008
3-(benzenesulfonamido)-2-phenoxypropanoic acid
CID 21178348
1-phenoxyprop-2-enylbenzene
CID 11735962
1-chloroprop-2-enoxybenzene
CID 23328786
methoxy(triphenoxy)phosphanium
CID 175056731
1-phenoxyethanol
CID 66611531
[(1R)-1-fluoroethoxy]benzene
CID 175733278

Frequently Asked Questions

What is the IUPAC name of diphenoxymethylsulfonylphosphane?
The IUPAC name of diphenoxymethylsulfonylphosphane (CID 175034899) is diphenoxymethylsulfonylphosphane.
What is the SMILES notation for diphenoxymethylsulfonylphosphane?
The canonical SMILES for diphenoxymethylsulfonylphosphane is O=S(=O)(P)C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenoxymethylsulfonylphosphane?
The InChIKey is FTSMYXFPNGMOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4PS/c14-19(15,18)13(16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,18H2.
What are the key properties of diphenoxymethylsulfonylphosphane?
diphenoxymethylsulfonylphosphane has a molecular weight of 296.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenoxymethylsulfonylphosphane is sourced from PubChem (CID 175034899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).