diethyl thiophen-3-ylmethyl phosphate

C9H15O4PS — CID 101411925

IUPACdiethyl thiophen-3-ylmethyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccsc1
InChIInChI=1S/C9H15O4PS/c1-3-11-14(10,12-4-2)13-7-9-5-6-15-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQVPOBDXQFCDGFU-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.45
Rot. Bonds7

About diethyl thiophen-3-ylmethyl phosphate

diethyl thiophen-3-ylmethyl phosphate (PubChem CID 101411925) has the molecular formula C9H15O4PS and a molecular weight of 250.26 g/mol. Its IUPAC name is diethyl thiophen-3-ylmethyl phosphate.

Molecular Properties

Compound Namediethyl thiophen-3-ylmethyl phosphate
PubChem CID101411925
Molecular FormulaC9H15O4PS
Molecular Weight250.26 g/mol
Exact Mass250.04
IUPAC Namediethyl thiophen-3-ylmethyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccsc1
InChIInChI=1S/C9H15O4PS/c1-3-11-14(10,12-4-2)13-7-9-5-6-15-8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQVPOBDXQFCDGFU-UHFFFAOYSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl thiophen-3-ylmethyl phosphate?
The IUPAC name of diethyl thiophen-3-ylmethyl phosphate (CID 101411925) is diethyl thiophen-3-ylmethyl phosphate.
What is the SMILES notation for diethyl thiophen-3-ylmethyl phosphate?
The canonical SMILES for diethyl thiophen-3-ylmethyl phosphate is CCOP(=O)(OCC)OCc1ccsc1.
What is the InChIKey of diethyl thiophen-3-ylmethyl phosphate?
The InChIKey is QVPOBDXQFCDGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O4PS/c1-3-11-14(10,12-4-2)13-7-9-5-6-15-8-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of diethyl thiophen-3-ylmethyl phosphate?
diethyl thiophen-3-ylmethyl phosphate has a molecular weight of 250.26 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl thiophen-3-ylmethyl phosphate is sourced from PubChem (CID 101411925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).