6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide

C16H18O5P2 — CID 132915788

IUPAC6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCOP(=O)(CCP1(=O)Oc2ccccc2-c2ccccc21)OC
InChIInChI=1S/C16H18O5P2/c1-19-23(18,20-2)12-11-22(17)16-10-6-4-8-14(16)13-7-3-5-9-15(13)21-22/h3-10H,11-12H2,1-2H3
InChIKeyFYEJKWJRQQBAGD-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.14
Rot. Bonds5

About 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide

6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 132915788) has the molecular formula C16H18O5P2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID132915788
Molecular FormulaC16H18O5P2
Molecular Weight352.26 g/mol
Exact Mass352.06
IUPAC Name6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESCOP(=O)(CCP1(=O)Oc2ccccc2-c2ccccc21)OC
InChIInChI=1S/C16H18O5P2/c1-19-23(18,20-2)12-11-22(17)16-10-6-4-8-14(16)13-7-3-5-9-15(13)21-22/h3-10H,11-12H2,1-2H3
InChIKeyFYEJKWJRQQBAGD-UHFFFAOYSA-N
XLogP4.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.14
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 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide (CID 132915788) is 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide is COP(=O)(CCP1(=O)Oc2ccccc2-c2ccccc21)OC.
What is the InChIKey of 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is FYEJKWJRQQBAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5P2/c1-19-23(18,20-2)12-11-22(17)16-10-6-4-8-14(16)13-7-3-5-9-15(13)21-22/h3-10H,11-12H2,1-2H3.
What are the key properties of 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide?
6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 352.26 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-dimethoxyphosphorylethyl)benzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 132915788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).