dimethoxyphosphoryl(furan-2-yl)methanone

C7H9O5P — CID 24806975

IUPACdimethoxyphosphoryl(furan-2-yl)methanone
SMILESCOP(=O)(OC)C(=O)c1ccco1
InChIInChI=1S/C7H9O5P/c1-10-13(9,11-2)7(8)6-4-3-5-12-6/h3-5H,1-2H3
InChIKeyBBHVGPZHALKGLR-UHFFFAOYSA-N
MW204.12 g/mol
LogP1.91
Rot. Bonds4

About dimethoxyphosphoryl(furan-2-yl)methanone

dimethoxyphosphoryl(furan-2-yl)methanone (PubChem CID 24806975) has the molecular formula C7H9O5P and a molecular weight of 204.12 g/mol. Its IUPAC name is dimethoxyphosphoryl(furan-2-yl)methanone.

Molecular Properties

Compound Namedimethoxyphosphoryl(furan-2-yl)methanone
PubChem CID24806975
Molecular FormulaC7H9O5P
Molecular Weight204.12 g/mol
Exact Mass204.02
IUPAC Namedimethoxyphosphoryl(furan-2-yl)methanone
SMILESCOP(=O)(OC)C(=O)c1ccco1
InChIInChI=1S/C7H9O5P/c1-10-13(9,11-2)7(8)6-4-3-5-12-6/h3-5H,1-2H3
InChIKeyBBHVGPZHALKGLR-UHFFFAOYSA-N
XLogP1.91
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 51.91
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 dimethoxyphosphoryl(furan-2-yl)methanone?
The IUPAC name of dimethoxyphosphoryl(furan-2-yl)methanone (CID 24806975) is dimethoxyphosphoryl(furan-2-yl)methanone.
What is the SMILES notation for dimethoxyphosphoryl(furan-2-yl)methanone?
The canonical SMILES for dimethoxyphosphoryl(furan-2-yl)methanone is COP(=O)(OC)C(=O)c1ccco1.
What is the InChIKey of dimethoxyphosphoryl(furan-2-yl)methanone?
The InChIKey is BBHVGPZHALKGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O5P/c1-10-13(9,11-2)7(8)6-4-3-5-12-6/h3-5H,1-2H3.
What are the key properties of dimethoxyphosphoryl(furan-2-yl)methanone?
dimethoxyphosphoryl(furan-2-yl)methanone has a molecular weight of 204.12 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyphosphoryl(furan-2-yl)methanone is sourced from PubChem (CID 24806975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).