tris(furan-2-yl)phosphane

C12H9O3P — CID 521585

IUPACtris(furan-2-yl)phosphane
SMILESc1coc(P(c2ccco2)c2ccco2)c1
InChIInChI=1S/C12H9O3P/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-9H
InChIKeyDLQYXUGCCKQSRJ-UHFFFAOYSA-N
MW232.18 g/mol
LogP2.22
Rot. Bonds3

About tris(furan-2-yl)phosphane

tris(furan-2-yl)phosphane (PubChem CID 521585) has the molecular formula C12H9O3P and a molecular weight of 232.18 g/mol. Its IUPAC name is tris(furan-2-yl)phosphane.

Molecular Properties

Compound Nametris(furan-2-yl)phosphane
PubChem CID521585
Molecular FormulaC12H9O3P
Molecular Weight232.18 g/mol
Exact Mass232.03
IUPAC Nametris(furan-2-yl)phosphane
SMILESc1coc(P(c2ccco2)c2ccco2)c1
InChIInChI=1S/C12H9O3P/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-9H
InChIKeyDLQYXUGCCKQSRJ-UHFFFAOYSA-N
XLogP2.22
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(furan-2-yl)phosphane?
The IUPAC name of tris(furan-2-yl)phosphane (CID 521585) is tris(furan-2-yl)phosphane.
What is the SMILES notation for tris(furan-2-yl)phosphane?
The canonical SMILES for tris(furan-2-yl)phosphane is c1coc(P(c2ccco2)c2ccco2)c1.
What is the InChIKey of tris(furan-2-yl)phosphane?
The InChIKey is DLQYXUGCCKQSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9O3P/c1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12/h1-9H.
What are the key properties of tris(furan-2-yl)phosphane?
tris(furan-2-yl)phosphane has a molecular weight of 232.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(furan-2-yl)phosphane is sourced from PubChem (CID 521585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).