2-dimethoxyphosphoryl-1-thiophen-2-ylethanone

C8H11O4PS — CID 21329773

IUPAC2-dimethoxyphosphoryl-1-thiophen-2-ylethanone
SMILESCOP(=O)(CC(=O)c1cccs1)OC
InChIInChI=1S/C8H11O4PS/c1-11-13(10,12-2)6-7(9)8-4-3-5-14-8/h3-5H,6H2,1-2H3
InChIKeyQPGUNUUBRABAGV-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.42
Rot. Bonds5

About 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone

2-dimethoxyphosphoryl-1-thiophen-2-ylethanone (PubChem CID 21329773) has the molecular formula C8H11O4PS and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-thiophen-2-ylethanone
PubChem CID21329773
Molecular FormulaC8H11O4PS
Molecular Weight234.21 g/mol
Exact Mass234.01
IUPAC Name2-dimethoxyphosphoryl-1-thiophen-2-ylethanone
SMILESCOP(=O)(CC(=O)c1cccs1)OC
InChIInChI=1S/C8H11O4PS/c1-11-13(10,12-2)6-7(9)8-4-3-5-14-8/h3-5H,6H2,1-2H3
InChIKeyQPGUNUUBRABAGV-UHFFFAOYSA-N
XLogP2.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-2-ylpropan-1-one
CID 26179
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857
2-(2-methoxyethylsulfanyl)-1-thiophen-2-ylethanone
CID 43801592
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
CID 5200476
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685
4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586
4-(3-methoxypropylsulfanyl)-1-thiophen-2-ylbutan-1-one
CID 63856136
2-methylsulfonyl-1-thiophen-2-ylethanone
CID 4253076
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
2-[3-di(propan-2-yloxy)phosphorylprop-1-en-2-yl]thiophene
CID 44556733

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone?
The IUPAC name of 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone (CID 21329773) is 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone is COP(=O)(CC(=O)c1cccs1)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone?
The InChIKey is QPGUNUUBRABAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O4PS/c1-11-13(10,12-2)6-7(9)8-4-3-5-14-8/h3-5H,6H2,1-2H3.
What are the key properties of 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone?
2-dimethoxyphosphoryl-1-thiophen-2-ylethanone has a molecular weight of 234.21 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-thiophen-2-ylethanone is sourced from PubChem (CID 21329773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).