2-(1-dimethoxyphosphorylethenyl)thiophene

C8H11O3PS — CID 166437016

IUPAC2-(1-dimethoxyphosphorylethenyl)thiophene
SMILESC=C(c1cccs1)P(=O)(OC)OC
InChIInChI=1S/C8H11O3PS/c1-7(8-5-4-6-13-8)12(9,10-2)11-3/h4-6H,1H2,2-3H3
InChIKeyGZZSQOUJMFRKPF-UHFFFAOYSA-N
MW218.21 g/mol
LogP3.20
Rot. Bonds4

About 2-(1-dimethoxyphosphorylethenyl)thiophene

2-(1-dimethoxyphosphorylethenyl)thiophene (PubChem CID 166437016) has the molecular formula C8H11O3PS and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(1-dimethoxyphosphorylethenyl)thiophene.

Molecular Properties

Compound Name2-(1-dimethoxyphosphorylethenyl)thiophene
PubChem CID166437016
Molecular FormulaC8H11O3PS
Molecular Weight218.21 g/mol
Exact Mass218.02
IUPAC Name2-(1-dimethoxyphosphorylethenyl)thiophene
SMILESC=C(c1cccs1)P(=O)(OC)OC
InChIInChI=1S/C8H11O3PS/c1-7(8-5-4-6-13-8)12(9,10-2)11-3/h4-6H,1H2,2-3H3
InChIKeyGZZSQOUJMFRKPF-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 53.20
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-(1-dimethoxyphosphorylethenyl)thiophene?
The IUPAC name of 2-(1-dimethoxyphosphorylethenyl)thiophene (CID 166437016) is 2-(1-dimethoxyphosphorylethenyl)thiophene.
What is the SMILES notation for 2-(1-dimethoxyphosphorylethenyl)thiophene?
The canonical SMILES for 2-(1-dimethoxyphosphorylethenyl)thiophene is C=C(c1cccs1)P(=O)(OC)OC.
What is the InChIKey of 2-(1-dimethoxyphosphorylethenyl)thiophene?
The InChIKey is GZZSQOUJMFRKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O3PS/c1-7(8-5-4-6-13-8)12(9,10-2)11-3/h4-6H,1H2,2-3H3.
What are the key properties of 2-(1-dimethoxyphosphorylethenyl)thiophene?
2-(1-dimethoxyphosphorylethenyl)thiophene has a molecular weight of 218.21 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dimethoxyphosphorylethenyl)thiophene is sourced from PubChem (CID 166437016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).