but-3-ynoxy(thiophen-2-yl)phosphinic acid

C8H9O3PS — CID 88830819

IUPACbut-3-ynoxy(thiophen-2-yl)phosphinic acid
SMILESC#CCCOP(=O)(O)c1cccs1
InChIInChI=1S/C8H9O3PS/c1-2-3-6-11-12(9,10)8-5-4-7-13-8/h1,4-5,7H,3,6H2,(H,9,10)
InChIKeyZJQLRYAKSKRWBM-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.60
Rot. Bonds4

About but-3-ynoxy(thiophen-2-yl)phosphinic acid

but-3-ynoxy(thiophen-2-yl)phosphinic acid (PubChem CID 88830819) has the molecular formula C8H9O3PS and a molecular weight of 216.20 g/mol. Its IUPAC name is but-3-ynoxy(thiophen-2-yl)phosphinic acid.

Molecular Properties

Compound Namebut-3-ynoxy(thiophen-2-yl)phosphinic acid
PubChem CID88830819
Molecular FormulaC8H9O3PS
Molecular Weight216.20 g/mol
Exact Mass216.00
IUPAC Namebut-3-ynoxy(thiophen-2-yl)phosphinic acid
SMILESC#CCCOP(=O)(O)c1cccs1
InChIInChI=1S/C8H9O3PS/c1-2-3-6-11-12(9,10)8-5-4-7-13-8/h1,4-5,7H,3,6H2,(H,9,10)
InChIKeyZJQLRYAKSKRWBM-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[but-3-ynoxy(phenyl)phosphoryl]thiophene
CID 134117658
but-3-ynoxy(phenyl)phosphinic acid
CID 88830829
phenyl(thiophen-2-yl)phosphinic acid
CID 134117623
N-hex-5-ynylthiophene-2-carboxamide
CID 103758137
1-thiophen-2-yloct-7-yn-4-ol
CID 105098636
3-but-3-ynoxythiophene-2-carboxylic acid
CID 63338399
2-thiophen-2-ylhex-5-yn-2-ol
CID 63656687
but-3-ynyl diethyl phosphate
CID 152673570
1-amino-1-thiophen-2-ylhept-6-yn-2-one
CID 116601549
bis(hept-6-ynyl) hydrogen phosphate
CID 169041581
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
2-thiophen-2-ylethyl nitrate
CID 54344199

Frequently Asked Questions

What is the IUPAC name of but-3-ynoxy(thiophen-2-yl)phosphinic acid?
The IUPAC name of but-3-ynoxy(thiophen-2-yl)phosphinic acid (CID 88830819) is but-3-ynoxy(thiophen-2-yl)phosphinic acid.
What is the SMILES notation for but-3-ynoxy(thiophen-2-yl)phosphinic acid?
The canonical SMILES for but-3-ynoxy(thiophen-2-yl)phosphinic acid is C#CCCOP(=O)(O)c1cccs1.
What is the InChIKey of but-3-ynoxy(thiophen-2-yl)phosphinic acid?
The InChIKey is ZJQLRYAKSKRWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3PS/c1-2-3-6-11-12(9,10)8-5-4-7-13-8/h1,4-5,7H,3,6H2,(H,9,10).
What are the key properties of but-3-ynoxy(thiophen-2-yl)phosphinic acid?
but-3-ynoxy(thiophen-2-yl)phosphinic acid has a molecular weight of 216.20 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-ynoxy(thiophen-2-yl)phosphinic acid is sourced from PubChem (CID 88830819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).