2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran

C20H22FO4P — CID 24947108

IUPAC2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran
SMILESCCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H22FO4P/c1-3-23-26(22,24-4-2)20(13-15-9-11-17(21)12-10-15)19-14-16-7-5-6-8-18(16)25-19/h5-12,14,20H,3-4,13H2,1-2H3
InChIKeyVMWLPJMMOUMDJZ-UHFFFAOYSA-N
MW376.36 g/mol
LogP6.12
Rot. Bonds8

About 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran

2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran (PubChem CID 24947108) has the molecular formula C20H22FO4P and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran.

Molecular Properties

Compound Name2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran
PubChem CID24947108
Molecular FormulaC20H22FO4P
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran
SMILESCCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1cc2ccccc2o1
InChIInChI=1S/C20H22FO4P/c1-3-23-26(22,24-4-2)20(13-15-9-11-17(21)12-10-15)19-14-16-7-5-6-8-18(16)25-19/h5-12,14,20H,3-4,13H2,1-2H3
InChIKeyVMWLPJMMOUMDJZ-UHFFFAOYSA-N
XLogP6.12
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.36
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran with MolForge

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

Launch Full Analysis

Related Compounds

Dibenzofuran
CID 568
[2-(3-Dibenzofuran-4-YL-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
CID 16122553
2-Phenyl-benzofuran
CID 3517936
4-(3-Phenyl-1-benzofuran-2-yl)butan-2-one
CID 873105
Methanone, 2-benzofuranyl(4-fluorophenyl)-
CID 757542
1,2,3,4-Tetrahydrodibenzofuran
CID 139390
3-Phenylbenzofuran
CID 606615
3-Fluorodibenzofuran
CID 5127426
(2,5-Diphenylfuran-3-yl)phosphonic acid
CID 238802
(E)-2-diethoxyphosphoryl-3-[5-(2,4-difluorophenyl)-2-furyl]prop-2-enenitrile
CID 5468612
(2E)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6139067
Ethyl 2-fluoro-4-[2-(2-methoxyphenyl)-1-benzofuran-3-yl]benzoate
CID 44142388

Frequently Asked Questions

What is the IUPAC name of 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran?
The IUPAC name of 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran (CID 24947108) is 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran.
What is the SMILES notation for 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran?
The canonical SMILES for 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran is CCOP(=O)(OCC)C(Cc1ccc(F)cc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran?
The InChIKey is VMWLPJMMOUMDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FO4P/c1-3-23-26(22,24-4-2)20(13-15-9-11-17(21)12-10-15)19-14-16-7-5-6-8-18(16)25-19/h5-12,14,20H,3-4,13H2,1-2H3.
What are the key properties of 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran?
2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran has a molecular weight of 376.36 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]-1-benzofuran is sourced from PubChem (CID 24947108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).