bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane

C20H17P — CID 18326967

IUPACbicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
SMILESc1cc2ccc1cc2.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C8H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-8-5-3-7(1)4-6-8/h1-10,13H;1-6H
InChIKeyILEUMGRGIWJEMN-UHFFFAOYSA-N
MW288.33 g/mol
LogP4.59
Rot. Bonds2

About bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane

bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane (PubChem CID 18326967) has the molecular formula C20H17P and a molecular weight of 288.33 g/mol. Its IUPAC name is bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane.

Molecular Properties

Compound Namebicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
PubChem CID18326967
Molecular FormulaC20H17P
Molecular Weight288.33 g/mol
Exact Mass288.11
IUPAC Namebicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane
SMILESc1cc2ccc1cc2.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C8H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-8-5-3-7(1)4-6-8/h1-10,13H;1-6H
InChIKeyILEUMGRGIWJEMN-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane?
The IUPAC name of bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane (CID 18326967) is bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane.
What is the SMILES notation for bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane?
The canonical SMILES for bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane is c1cc2ccc1cc2.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane?
The InChIKey is ILEUMGRGIWJEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C8H6/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-8-5-3-7(1)4-6-8/h1-10,13H;1-6H.
What are the key properties of bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane?
bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane has a molecular weight of 288.33 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octa-1,3,5,7-tetraene;diphenylphosphane is sourced from PubChem (CID 18326967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).