1-(5-diethylphosphoryloxythiophen-2-yl)ethanone

C10H15O3PS — CID 174615841

IUPAC1-(5-diethylphosphoryloxythiophen-2-yl)ethanone
SMILESCCP(=O)(CC)Oc1ccc(C(C)=O)s1
InChIInChI=1S/C10H15O3PS/c1-4-14(12,5-2)13-10-7-6-9(15-10)8(3)11/h6-7H,4-5H2,1-3H3
InChIKeyQOQPKIDYVSYLFZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.65
Rot. Bonds5

About 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone

1-(5-diethylphosphoryloxythiophen-2-yl)ethanone (PubChem CID 174615841) has the molecular formula C10H15O3PS and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-diethylphosphoryloxythiophen-2-yl)ethanone
PubChem CID174615841
Molecular FormulaC10H15O3PS
Molecular Weight246.27 g/mol
Exact Mass246.05
IUPAC Name1-(5-diethylphosphoryloxythiophen-2-yl)ethanone
SMILESCCP(=O)(CC)Oc1ccc(C(C)=O)s1
InChIInChI=1S/C10H15O3PS/c1-4-14(12,5-2)13-10-7-6-9(15-10)8(3)11/h6-7H,4-5H2,1-3H3
InChIKeyQOQPKIDYVSYLFZ-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
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 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone?
The IUPAC name of 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone (CID 174615841) is 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone is CCP(=O)(CC)Oc1ccc(C(C)=O)s1.
What is the InChIKey of 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone?
The InChIKey is QOQPKIDYVSYLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3PS/c1-4-14(12,5-2)13-10-7-6-9(15-10)8(3)11/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone?
1-(5-diethylphosphoryloxythiophen-2-yl)ethanone has a molecular weight of 246.27 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-diethylphosphoryloxythiophen-2-yl)ethanone is sourced from PubChem (CID 174615841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).