diethyl furan-3-ylmethyl phosphate

C9H15O5P — CID 101411924

IUPACdiethyl furan-3-ylmethyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccoc1
InChIInChI=1S/C9H15O5P/c1-3-12-15(10,13-4-2)14-8-9-5-6-11-7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyNZHJRLUKBBCPSJ-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.98
Rot. Bonds7

About diethyl furan-3-ylmethyl phosphate

diethyl furan-3-ylmethyl phosphate (PubChem CID 101411924) has the molecular formula C9H15O5P and a molecular weight of 234.19 g/mol. Its IUPAC name is diethyl furan-3-ylmethyl phosphate.

Molecular Properties

Compound Namediethyl furan-3-ylmethyl phosphate
PubChem CID101411924
Molecular FormulaC9H15O5P
Molecular Weight234.19 g/mol
Exact Mass234.07
IUPAC Namediethyl furan-3-ylmethyl phosphate
SMILESCCOP(=O)(OCC)OCc1ccoc1
InChIInChI=1S/C9H15O5P/c1-3-12-15(10,13-4-2)14-8-9-5-6-11-7-9/h5-7H,3-4,8H2,1-2H3
InChIKeyNZHJRLUKBBCPSJ-UHFFFAOYSA-N
XLogP2.98
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.98
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 furan-3-ylmethyl phosphate?
The IUPAC name of diethyl furan-3-ylmethyl phosphate (CID 101411924) is diethyl furan-3-ylmethyl phosphate.
What is the SMILES notation for diethyl furan-3-ylmethyl phosphate?
The canonical SMILES for diethyl furan-3-ylmethyl phosphate is CCOP(=O)(OCC)OCc1ccoc1.
What is the InChIKey of diethyl furan-3-ylmethyl phosphate?
The InChIKey is NZHJRLUKBBCPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O5P/c1-3-12-15(10,13-4-2)14-8-9-5-6-11-7-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of diethyl furan-3-ylmethyl phosphate?
diethyl furan-3-ylmethyl phosphate has a molecular weight of 234.19 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl furan-3-ylmethyl phosphate is sourced from PubChem (CID 101411924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).