2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole

C20H25O5P — CID 23418250

IUPAC2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole
SMILESCCOP1(OCC)(OCC)OC(c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C20H25O5P/c1-4-21-26(22-5-2,23-6-3)24-19(17-13-9-7-10-14-17)20(25-26)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3
InChIKeyHLZDASYIVIQWHF-UHFFFAOYSA-N
MW376.39 g/mol
LogP5.80
Rot. Bonds8

About 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole

2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole (PubChem CID 23418250) has the molecular formula C20H25O5P and a molecular weight of 376.39 g/mol. Its IUPAC name is 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole.

Molecular Properties

Compound Name2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole
PubChem CID23418250
Molecular FormulaC20H25O5P
Molecular Weight376.39 g/mol
Exact Mass376.14
IUPAC Name2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole
SMILESCCOP1(OCC)(OCC)OC(c2ccccc2)=C(c2ccccc2)O1
InChIInChI=1S/C20H25O5P/c1-4-21-26(22-5-2,23-6-3)24-19(17-13-9-7-10-14-17)20(25-26)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3
InChIKeyHLZDASYIVIQWHF-UHFFFAOYSA-N
XLogP5.80
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole 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 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole?
The IUPAC name of 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole (CID 23418250) is 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole.
What is the SMILES notation for 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole?
The canonical SMILES for 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole is CCOP1(OCC)(OCC)OC(c2ccccc2)=C(c2ccccc2)O1.
What is the InChIKey of 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole?
The InChIKey is HLZDASYIVIQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25O5P/c1-4-21-26(22-5-2,23-6-3)24-19(17-13-9-7-10-14-17)20(25-26)18-15-11-8-12-16-18/h7-16H,4-6H2,1-3H3.
What are the key properties of 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole?
2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole has a molecular weight of 376.39 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-triethoxy-4,5-diphenyl-1,3,2λ5-dioxaphosphole is sourced from PubChem (CID 23418250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).