[5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane

C30H26O3P2 — CID 58460489

IUPAC[5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane
SMILESc1ccc(P(OCc2ccc(COP(c3ccccc3)c3ccccc3)o2)c2ccccc2)cc1
InChIInChI=1S/C30H26O3P2/c1-5-13-27(14-6-1)34(28-15-7-2-8-16-28)31-23-25-21-22-26(33-25)24-32-35(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-22H,23-24H2
InChIKeyKPMLEEGOXKOYAI-UHFFFAOYSA-N
MW496.48 g/mol
LogP6.41
Rot. Bonds10

About [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane

[5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane (PubChem CID 58460489) has the molecular formula C30H26O3P2 and a molecular weight of 496.48 g/mol. Its IUPAC name is [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane.

Molecular Properties

Compound Name[5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane
PubChem CID58460489
Molecular FormulaC30H26O3P2
Molecular Weight496.48 g/mol
Exact Mass496.14
IUPAC Name[5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane
SMILESc1ccc(P(OCc2ccc(COP(c3ccccc3)c3ccccc3)o2)c2ccccc2)cc1
InChIInChI=1S/C30H26O3P2/c1-5-13-27(14-6-1)34(28-15-7-2-8-16-28)31-23-25-21-22-26(33-25)24-32-35(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-22H,23-24H2
InChIKeyKPMLEEGOXKOYAI-UHFFFAOYSA-N
XLogP6.41
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.48
LogP ≤ 56.41
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 [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane?
The IUPAC name of [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane (CID 58460489) is [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane.
What is the SMILES notation for [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane?
The canonical SMILES for [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane is c1ccc(P(OCc2ccc(COP(c3ccccc3)c3ccccc3)o2)c2ccccc2)cc1.
What is the InChIKey of [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane?
The InChIKey is KPMLEEGOXKOYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O3P2/c1-5-13-27(14-6-1)34(28-15-7-2-8-16-28)31-23-25-21-22-26(33-25)24-32-35(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-22H,23-24H2.
What are the key properties of [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane?
[5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane has a molecular weight of 496.48 g/mol, XLogP of 6.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diphenylphosphanyloxymethyl)furan-2-yl]methoxy-diphenylphosphane is sourced from PubChem (CID 58460489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).