methoxy-(2-methylsulfinylphenyl)phosphinic acid

C8H11O4PS — CID 11424817

IUPACmethoxy-(2-methylsulfinylphenyl)phosphinic acid
SMILESCOP(=O)(O)c1ccccc1S(C)=O
InChIInChI=1S/C8H11O4PS/c1-12-13(9,10)7-5-3-4-6-8(7)14(2)11/h3-6H,1-2H3,(H,9,10)
InChIKeyNRQPEXZZTITGQV-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.88
Rot. Bonds3

About methoxy-(2-methylsulfinylphenyl)phosphinic acid

methoxy-(2-methylsulfinylphenyl)phosphinic acid (PubChem CID 11424817) has the molecular formula C8H11O4PS and a molecular weight of 234.21 g/mol. Its IUPAC name is methoxy-(2-methylsulfinylphenyl)phosphinic acid.

Molecular Properties

Compound Namemethoxy-(2-methylsulfinylphenyl)phosphinic acid
PubChem CID11424817
Molecular FormulaC8H11O4PS
Molecular Weight234.21 g/mol
Exact Mass234.01
IUPAC Namemethoxy-(2-methylsulfinylphenyl)phosphinic acid
SMILESCOP(=O)(O)c1ccccc1S(C)=O
InChIInChI=1S/C8H11O4PS/c1-12-13(9,10)7-5-3-4-6-8(7)14(2)11/h3-6H,1-2H3,(H,9,10)
InChIKeyNRQPEXZZTITGQV-UHFFFAOYSA-N
XLogP0.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid
CID 102433297
copper;(2-methoxyphenyl)phosphonic acid
CID 68628754
methoxy-[2-(2-methylbenzoyl)phenyl]phosphinic acid
CID 141381447
1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene
CID 15864724
(2,3-dipropylphenyl)-methoxyphosphinic acid
CID 87674891
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984
1-iodo-2-methylsulfinylbenzene
CID 53256675
1,2,3-tris(methylsulfinyl)benzene
CID 18707368
2-methoxybenzenesulfinic acid;zinc
CID 175016195
2-[2-[(S)-methylsulfinyl]phenyl]acetic acid
CID 97358995
(2-methylphenyl)phosphonic acid;dihydrochloride
CID 70471914
1-methylsulfanyl-2-methylsulfinylbenzene
CID 54387516

Frequently Asked Questions

What is the IUPAC name of methoxy-(2-methylsulfinylphenyl)phosphinic acid?
The IUPAC name of methoxy-(2-methylsulfinylphenyl)phosphinic acid (CID 11424817) is methoxy-(2-methylsulfinylphenyl)phosphinic acid.
What is the SMILES notation for methoxy-(2-methylsulfinylphenyl)phosphinic acid?
The canonical SMILES for methoxy-(2-methylsulfinylphenyl)phosphinic acid is COP(=O)(O)c1ccccc1S(C)=O.
What is the InChIKey of methoxy-(2-methylsulfinylphenyl)phosphinic acid?
The InChIKey is NRQPEXZZTITGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4PS/c1-12-13(9,10)7-5-3-4-6-8(7)14(2)11/h3-6H,1-2H3,(H,9,10).
What are the key properties of methoxy-(2-methylsulfinylphenyl)phosphinic acid?
methoxy-(2-methylsulfinylphenyl)phosphinic acid has a molecular weight of 234.21 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(2-methylsulfinylphenyl)phosphinic acid is sourced from PubChem (CID 11424817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).