[2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol

C8H11O4PS — CID 71341239

IUPAC[2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol
SMILESCOP(O)(=S)Oc1ccccc1CO
InChIInChI=1S/C8H11O4PS/c1-11-13(10,14)12-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3,(H,10,14)
InChIKeyVGNUHPOPKVSVSD-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.42
Rot. Bonds4

About [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol

[2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol (PubChem CID 71341239) has the molecular formula C8H11O4PS and a molecular weight of 234.21 g/mol. Its IUPAC name is [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol.

Molecular Properties

Compound Name[2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol
PubChem CID71341239
Molecular FormulaC8H11O4PS
Molecular Weight234.21 g/mol
Exact Mass234.01
IUPAC Name[2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol
SMILESCOP(O)(=S)Oc1ccccc1CO
InChIInChI=1S/C8H11O4PS/c1-11-13(10,14)12-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3,(H,10,14)
InChIKeyVGNUHPOPKVSVSD-UHFFFAOYSA-N
XLogP1.42
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol?
The IUPAC name of [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol (CID 71341239) is [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol.
What is the SMILES notation for [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol?
The canonical SMILES for [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol is COP(O)(=S)Oc1ccccc1CO.
What is the InChIKey of [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol?
The InChIKey is VGNUHPOPKVSVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4PS/c1-11-13(10,14)12-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3,(H,10,14).
What are the key properties of [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol?
[2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol has a molecular weight of 234.21 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(methoxy)phosphinothioyl]oxyphenyl]methanol is sourced from PubChem (CID 71341239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).