[2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene

C16H20O2P2 — CID 796913

IUPAC[2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene
SMILESCP(C)(=O)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20O2P2/c1-19(2,17)13-14-20(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyRHWVPNSWQJSSNG-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.62
Rot. Bonds5

About [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene

[2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene (PubChem CID 796913) has the molecular formula C16H20O2P2 and a molecular weight of 306.28 g/mol. Its IUPAC name is [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene
PubChem CID796913
Molecular FormulaC16H20O2P2
Molecular Weight306.28 g/mol
Exact Mass306.09
IUPAC Name[2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene
SMILESCP(C)(=O)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20O2P2/c1-19(2,17)13-14-20(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyRHWVPNSWQJSSNG-UHFFFAOYSA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dimethylphosphorylethyl(phenyl)phosphoryl]benzene?
The IUPAC name of [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene (CID 796913) is [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene.
What is the SMILES notation for [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene?
The canonical SMILES for [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene is CP(C)(=O)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene?
The InChIKey is RHWVPNSWQJSSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2P2/c1-19(2,17)13-14-20(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene?
[2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene has a molecular weight of 306.28 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dimethylphosphorylethyl(phenyl)phosphoryl]benzene is sourced from PubChem (CID 796913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).