diethoxyphosphorylbenzene

C10H15O3P — CID 15642

IUPACdiethoxyphosphorylbenzene
SMILESCCOP(=O)(OCC)c1ccccc1
InChIInChI=1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyVZEGPPPCKHRYGO-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.58
Rot. Bonds5

About diethoxyphosphorylbenzene

diethoxyphosphorylbenzene (PubChem CID 15642) has the molecular formula C10H15O3P and a molecular weight of 214.20 g/mol. Its IUPAC name is diethoxyphosphorylbenzene.

Molecular Properties

Compound Namediethoxyphosphorylbenzene
PubChem CID15642
Molecular FormulaC10H15O3P
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Namediethoxyphosphorylbenzene
SMILESCCOP(=O)(OCC)c1ccccc1
InChIInChI=1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyVZEGPPPCKHRYGO-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylbenzene?
The IUPAC name of diethoxyphosphorylbenzene (CID 15642) is diethoxyphosphorylbenzene.
What is the SMILES notation for diethoxyphosphorylbenzene?
The canonical SMILES for diethoxyphosphorylbenzene is CCOP(=O)(OCC)c1ccccc1.
What is the InChIKey of diethoxyphosphorylbenzene?
The InChIKey is VZEGPPPCKHRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of diethoxyphosphorylbenzene?
diethoxyphosphorylbenzene has a molecular weight of 214.20 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylbenzene is sourced from PubChem (CID 15642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).