[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene

C16H20O6P2 — CID 132915786

IUPAC[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
SMILESCOP(=O)(CCP(=O)(Oc1ccccc1)Oc1ccccc1)OC
InChIInChI=1S/C16H20O6P2/c1-19-23(17,20-2)13-14-24(18,21-15-9-5-3-6-10-15)22-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyBOULAPHMKQNNGX-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.82
Rot. Bonds9

About [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene

[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene (PubChem CID 132915786) has the molecular formula C16H20O6P2 and a molecular weight of 370.28 g/mol. Its IUPAC name is [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
PubChem CID132915786
Molecular FormulaC16H20O6P2
Molecular Weight370.28 g/mol
Exact Mass370.07
IUPAC Name[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
SMILESCOP(=O)(CCP(=O)(Oc1ccccc1)Oc1ccccc1)OC
InChIInChI=1S/C16H20O6P2/c1-19-23(17,20-2)13-14-24(18,21-15-9-5-3-6-10-15)22-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyBOULAPHMKQNNGX-UHFFFAOYSA-N
XLogP4.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene?
The IUPAC name of [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene (CID 132915786) is [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene.
What is the SMILES notation for [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene?
The canonical SMILES for [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene is COP(=O)(CCP(=O)(Oc1ccccc1)Oc1ccccc1)OC.
What is the InChIKey of [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene?
The InChIKey is BOULAPHMKQNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6P2/c1-19-23(17,20-2)13-14-24(18,21-15-9-5-3-6-10-15)22-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene?
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene has a molecular weight of 370.28 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 132915786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).