2-(diethoxyphosphorylmethyl)thiophene

C9H15O3PS — CID 4185897

IUPAC2-(diethoxyphosphorylmethyl)thiophene
SMILESCCOP(=O)(Cc1cccs1)OCC
InChIInChI=1S/C9H15O3PS/c1-3-11-13(10,12-4-2)8-9-6-5-7-14-9/h5-7H,3-4,8H2,1-2H3
InChIKeyGOJBUVQDOFHBLF-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.51
Rot. Bonds6

About 2-(diethoxyphosphorylmethyl)thiophene

2-(diethoxyphosphorylmethyl)thiophene (PubChem CID 4185897) has the molecular formula C9H15O3PS and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(diethoxyphosphorylmethyl)thiophene.

Molecular Properties

Compound Name2-(diethoxyphosphorylmethyl)thiophene
PubChem CID4185897
Molecular FormulaC9H15O3PS
Molecular Weight234.26 g/mol
Exact Mass234.05
IUPAC Name2-(diethoxyphosphorylmethyl)thiophene
SMILESCCOP(=O)(Cc1cccs1)OCC
InChIInChI=1S/C9H15O3PS/c1-3-11-13(10,12-4-2)8-9-6-5-7-14-9/h5-7H,3-4,8H2,1-2H3
InChIKeyGOJBUVQDOFHBLF-UHFFFAOYSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.51
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 2-(diethoxyphosphorylmethyl)thiophene?
The IUPAC name of 2-(diethoxyphosphorylmethyl)thiophene (CID 4185897) is 2-(diethoxyphosphorylmethyl)thiophene.
What is the SMILES notation for 2-(diethoxyphosphorylmethyl)thiophene?
The canonical SMILES for 2-(diethoxyphosphorylmethyl)thiophene is CCOP(=O)(Cc1cccs1)OCC.
What is the InChIKey of 2-(diethoxyphosphorylmethyl)thiophene?
The InChIKey is GOJBUVQDOFHBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3PS/c1-3-11-13(10,12-4-2)8-9-6-5-7-14-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-(diethoxyphosphorylmethyl)thiophene?
2-(diethoxyphosphorylmethyl)thiophene has a molecular weight of 234.26 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyphosphorylmethyl)thiophene is sourced from PubChem (CID 4185897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).