2,2-bis(dimethoxyphosphoryl)ethylbenzene

C12H20O6P2 — CID 10125730

IUPAC2,2-bis(dimethoxyphosphoryl)ethylbenzene
SMILESCOP(=O)(OC)C(Cc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C12H20O6P2/c1-15-19(13,16-2)12(20(14,17-3)18-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKeyAUBGNNNWUJYSBS-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.53
Rot. Bonds8

About 2,2-bis(dimethoxyphosphoryl)ethylbenzene

2,2-bis(dimethoxyphosphoryl)ethylbenzene (PubChem CID 10125730) has the molecular formula C12H20O6P2 and a molecular weight of 322.23 g/mol. Its IUPAC name is 2,2-bis(dimethoxyphosphoryl)ethylbenzene.

Molecular Properties

Compound Name2,2-bis(dimethoxyphosphoryl)ethylbenzene
PubChem CID10125730
Molecular FormulaC12H20O6P2
Molecular Weight322.23 g/mol
Exact Mass322.07
IUPAC Name2,2-bis(dimethoxyphosphoryl)ethylbenzene
SMILESCOP(=O)(OC)C(Cc1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C12H20O6P2/c1-15-19(13,16-2)12(20(14,17-3)18-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3
InChIKeyAUBGNNNWUJYSBS-UHFFFAOYSA-N
XLogP3.53
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2-bis(dimethoxyphosphoryl)ethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(dimethoxyphosphoryl)ethylbenzene?
The IUPAC name of 2,2-bis(dimethoxyphosphoryl)ethylbenzene (CID 10125730) is 2,2-bis(dimethoxyphosphoryl)ethylbenzene.
What is the SMILES notation for 2,2-bis(dimethoxyphosphoryl)ethylbenzene?
The canonical SMILES for 2,2-bis(dimethoxyphosphoryl)ethylbenzene is COP(=O)(OC)C(Cc1ccccc1)P(=O)(OC)OC.
What is the InChIKey of 2,2-bis(dimethoxyphosphoryl)ethylbenzene?
The InChIKey is AUBGNNNWUJYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6P2/c1-15-19(13,16-2)12(20(14,17-3)18-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3.
What are the key properties of 2,2-bis(dimethoxyphosphoryl)ethylbenzene?
2,2-bis(dimethoxyphosphoryl)ethylbenzene has a molecular weight of 322.23 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(dimethoxyphosphoryl)ethylbenzene is sourced from PubChem (CID 10125730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).