diethyl 2-diphenylphosphorylbutanedioate

C20H23O5P — CID 2828397

IUPACdiethyl 2-diphenylphosphorylbutanedioate
SMILESCCOC(=O)CC(C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23O5P/c1-3-24-19(21)15-18(20(22)25-4-2)26(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKeyBROCUFYDJLHLJZ-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.89
Rot. Bonds8

About diethyl 2-diphenylphosphorylbutanedioate

diethyl 2-diphenylphosphorylbutanedioate (PubChem CID 2828397) has the molecular formula C20H23O5P and a molecular weight of 374.37 g/mol. Its IUPAC name is diethyl 2-diphenylphosphorylbutanedioate.

Molecular Properties

Compound Namediethyl 2-diphenylphosphorylbutanedioate
PubChem CID2828397
Molecular FormulaC20H23O5P
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Namediethyl 2-diphenylphosphorylbutanedioate
SMILESCCOC(=O)CC(C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23O5P/c1-3-24-19(21)15-18(20(22)25-4-2)26(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKeyBROCUFYDJLHLJZ-UHFFFAOYSA-N
XLogP2.89
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-diphenylphosphorylbutanedioate?
The IUPAC name of diethyl 2-diphenylphosphorylbutanedioate (CID 2828397) is diethyl 2-diphenylphosphorylbutanedioate.
What is the SMILES notation for diethyl 2-diphenylphosphorylbutanedioate?
The canonical SMILES for diethyl 2-diphenylphosphorylbutanedioate is CCOC(=O)CC(C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diethyl 2-diphenylphosphorylbutanedioate?
The InChIKey is BROCUFYDJLHLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O5P/c1-3-24-19(21)15-18(20(22)25-4-2)26(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3.
What are the key properties of diethyl 2-diphenylphosphorylbutanedioate?
diethyl 2-diphenylphosphorylbutanedioate has a molecular weight of 374.37 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-diphenylphosphorylbutanedioate is sourced from PubChem (CID 2828397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).