(2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid

C10H15O4PS — CID 102433297

IUPAC(2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)c1ccccc1S(C)=O
InChIInChI=1S/C10H15O4PS/c1-8(2)14-15(11,12)9-6-4-5-7-10(9)16(3)13/h4-8H,1-3H3,(H,11,12)
InChIKeyYSTCLENJRBYGQB-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.66
Rot. Bonds4

About (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid

(2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid (PubChem CID 102433297) has the molecular formula C10H15O4PS and a molecular weight of 262.27 g/mol. Its IUPAC name is (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid.

Molecular Properties

Compound Name(2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid
PubChem CID102433297
Molecular FormulaC10H15O4PS
Molecular Weight262.27 g/mol
Exact Mass262.04
IUPAC Name(2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid
SMILESCC(C)OP(=O)(O)c1ccccc1S(C)=O
InChIInChI=1S/C10H15O4PS/c1-8(2)14-15(11,12)9-6-4-5-7-10(9)16(3)13/h4-8H,1-3H3,(H,11,12)
InChIKeyYSTCLENJRBYGQB-UHFFFAOYSA-N
XLogP1.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.66
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

methoxy-(2-methylsulfinylphenyl)phosphinic acid
CID 11424817
(2-methylphenyl)-propan-2-yloxyphosphinic acid
CID 139679819
[2-(2,2-dimethylpropanoylamino)phenyl]-propan-2-yloxyphosphinic acid
CID 150857541
(2-propan-2-ylcinnolin-2-ium-4-yl)-propan-2-yloxyphosphinic acid
CID 154679235
1-di(propan-2-yloxy)phosphoryl-2-di(propan-2-yloxy)phosphorylsulfanylbenzene
CID 102532603
[(1R,2S)-2-phenylcyclohexyl] 2-di(propan-2-yloxy)phosphorylbenzenesulfinate
CID 101372614
1-methylsulfanyl-2-methylsulfinylbenzene
CID 54387516
(1R)-1-(2-methylsulfinylphenyl)ethanamine
CID 130655074
1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene
CID 15864724
ethane;1-methyl-2-methylsulfinylbenzene
CID 143887984
1-iodo-2-methylsulfinylbenzene
CID 53256675
1,2,3-tris(methylsulfinyl)benzene
CID 18707368

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid?
The IUPAC name of (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid (CID 102433297) is (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid.
What is the SMILES notation for (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid?
The canonical SMILES for (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid is CC(C)OP(=O)(O)c1ccccc1S(C)=O.
What is the InChIKey of (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid?
The InChIKey is YSTCLENJRBYGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4PS/c1-8(2)14-15(11,12)9-6-4-5-7-10(9)16(3)13/h4-8H,1-3H3,(H,11,12).
What are the key properties of (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid?
(2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid has a molecular weight of 262.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfinylphenyl)-propan-2-yloxyphosphinic acid is sourced from PubChem (CID 102433297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).