3-(diethoxyphosphorylmethyl)thiophene

C9H15O3PS — CID 11117975

IUPAC3-(diethoxyphosphorylmethyl)thiophene
SMILESCCOP(=O)(Cc1ccsc1)OCC
InChIInChI=1S/C9H15O3PS/c1-3-11-13(10,12-4-2)7-9-5-6-14-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyCOEUIMNMEJZFLM-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.51
Rot. Bonds6

About 3-(diethoxyphosphorylmethyl)thiophene

3-(diethoxyphosphorylmethyl)thiophene (PubChem CID 11117975) has the molecular formula C9H15O3PS and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethyl)thiophene.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethyl)thiophene
PubChem CID11117975
Molecular FormulaC9H15O3PS
Molecular Weight234.26 g/mol
Exact Mass234.05
IUPAC Name3-(diethoxyphosphorylmethyl)thiophene
SMILESCCOP(=O)(Cc1ccsc1)OCC
InChIInChI=1S/C9H15O3PS/c1-3-11-13(10,12-4-2)7-9-5-6-14-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyCOEUIMNMEJZFLM-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 3-(diethoxyphosphorylmethyl)thiophene?
The IUPAC name of 3-(diethoxyphosphorylmethyl)thiophene (CID 11117975) is 3-(diethoxyphosphorylmethyl)thiophene.
What is the SMILES notation for 3-(diethoxyphosphorylmethyl)thiophene?
The canonical SMILES for 3-(diethoxyphosphorylmethyl)thiophene is CCOP(=O)(Cc1ccsc1)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethyl)thiophene?
The InChIKey is COEUIMNMEJZFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O3PS/c1-3-11-13(10,12-4-2)7-9-5-6-14-8-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-(diethoxyphosphorylmethyl)thiophene?
3-(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 3-(diethoxyphosphorylmethyl)thiophene is sourced from PubChem (CID 11117975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).