bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium

C16H18O7PS2+ — CID 175504483

IUPACbis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
SMILESCOc1ccc([S@](=O)CO[P+](=O)OC[S@@](=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H18O7PS2/c1-20-13-3-7-15(8-4-13)25(18)11-22-24(17)23-12-26(19)16-9-5-14(21-2)6-10-16/h3-10H,11-12H2,1-2H3/q+1/t25-,26-/m1/s1
InChIKeyPPNCDEIARXDEIN-CLJLJLNGSA-N
MW417.42 g/mol
LogP3.22
Rot. Bonds10

About bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium

bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium (PubChem CID 175504483) has the molecular formula C16H18O7PS2+ and a molecular weight of 417.42 g/mol. Its IUPAC name is bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
PubChem CID175504483
Molecular FormulaC16H18O7PS2+
Molecular Weight417.42 g/mol
Exact Mass417.02
IUPAC Namebis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
SMILESCOc1ccc([S@](=O)CO[P+](=O)OC[S@@](=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H18O7PS2/c1-20-13-3-7-15(8-4-13)25(18)11-22-24(17)23-12-26(19)16-9-5-14(21-2)6-10-16/h3-10H,11-12H2,1-2H3/q+1/t25-,26-/m1/s1
InChIKeyPPNCDEIARXDEIN-CLJLJLNGSA-N
XLogP3.22
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504485
bis[[(S)-(4-methoxyphenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504393
1-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 64658921
1-(1-deuterio-1-protio(113C)ethyl)sulfinyl-4-methoxybenzene
CID 58500304
1-methoxy-3-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 107508732
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
4-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 61368872
N-[2-(4-methoxyphenyl)sulfinylethyl]propan-1-amine
CID 64659114
bis[[(S)-(3-fluorophenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504461
(4-methoxyphenyl) 4-methoxybenzenesulfinate
CID 20694096
1-methoxy-4-[[(R)-phenylsulfinyl]methyl]benzene
CID 40517522
4-(4-methoxyphenyl)sulfinyl-2,2-dimethylbutan-1-amine
CID 81329116

Frequently Asked Questions

What is the IUPAC name of bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium?
The IUPAC name of bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium (CID 175504483) is bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium.
What is the SMILES notation for bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium?
The canonical SMILES for bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium is COc1ccc([S@](=O)CO[P+](=O)OC[S@@](=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium?
The InChIKey is PPNCDEIARXDEIN-CLJLJLNGSA-N. The full InChI is InChI=1S/C16H18O7PS2/c1-20-13-3-7-15(8-4-13)25(18)11-22-24(17)23-12-26(19)16-9-5-14(21-2)6-10-16/h3-10H,11-12H2,1-2H3/q+1/t25-,26-/m1/s1.
What are the key properties of bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium?
bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium has a molecular weight of 417.42 g/mol, XLogP of 3.22, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium is sourced from PubChem (CID 175504483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).