furan-2-yl(phosphanyl)methanone

C5H5O2P — CID 151549332

IUPACfuran-2-yl(phosphanyl)methanone
SMILESO=C(P)c1ccco1
InChIInChI=1S/C5H5O2P/c6-5(8)4-2-1-3-7-4/h1-3H,8H2
InChIKeyUOUHWMSCTKHKMO-UHFFFAOYSA-N
MW128.07 g/mol
LogP1.29
Rot. Bonds1

About furan-2-yl(phosphanyl)methanone

furan-2-yl(phosphanyl)methanone (PubChem CID 151549332) has the molecular formula C5H5O2P and a molecular weight of 128.07 g/mol. Its IUPAC name is furan-2-yl(phosphanyl)methanone.

Molecular Properties

Compound Namefuran-2-yl(phosphanyl)methanone
PubChem CID151549332
Molecular FormulaC5H5O2P
Molecular Weight128.07 g/mol
Exact Mass128.00
IUPAC Namefuran-2-yl(phosphanyl)methanone
SMILESO=C(P)c1ccco1
InChIInChI=1S/C5H5O2P/c6-5(8)4-2-1-3-7-4/h1-3H,8H2
InChIKeyUOUHWMSCTKHKMO-UHFFFAOYSA-N
XLogP1.29
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl(phosphanyl)methanone?
The IUPAC name of furan-2-yl(phosphanyl)methanone (CID 151549332) is furan-2-yl(phosphanyl)methanone.
What is the SMILES notation for furan-2-yl(phosphanyl)methanone?
The canonical SMILES for furan-2-yl(phosphanyl)methanone is O=C(P)c1ccco1.
What is the InChIKey of furan-2-yl(phosphanyl)methanone?
The InChIKey is UOUHWMSCTKHKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5O2P/c6-5(8)4-2-1-3-7-4/h1-3H,8H2.
What are the key properties of furan-2-yl(phosphanyl)methanone?
furan-2-yl(phosphanyl)methanone has a molecular weight of 128.07 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(phosphanyl)methanone is sourced from PubChem (CID 151549332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).