2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate

C19H14Cl2O5 — CID 71769136

IUPAC2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate
SMILESO=C1OCC(OCCOC(=O)c2cccc(Cl)c2)=C1c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2O5/c20-14-6-4-12(5-7-14)17-16(11-26-19(17)23)24-8-9-25-18(22)13-2-1-3-15(21)10-13/h1-7,10H,8-9,11H2
InChIKeyZYFGKYUNGVZLIR-UHFFFAOYSA-N
MW393.22 g/mol
LogP4.13
Rot. Bonds6

About 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate

2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate (PubChem CID 71769136) has the molecular formula C19H14Cl2O5 and a molecular weight of 393.22 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate
PubChem CID71769136
Molecular FormulaC19H14Cl2O5
Molecular Weight393.22 g/mol
Exact Mass392.02
IUPAC Name2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate
SMILESO=C1OCC(OCCOC(=O)c2cccc(Cl)c2)=C1c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2O5/c20-14-6-4-12(5-7-14)17-16(11-26-19(17)23)24-8-9-25-18(22)13-2-1-3-15(21)10-13/h1-7,10H,8-9,11H2
InChIKeyZYFGKYUNGVZLIR-UHFFFAOYSA-N
XLogP4.13
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate?
The IUPAC name of 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate (CID 71769136) is 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate is O=C1OCC(OCCOC(=O)c2cccc(Cl)c2)=C1c1ccc(Cl)cc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate?
The InChIKey is ZYFGKYUNGVZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O5/c20-14-6-4-12(5-7-14)17-16(11-26-19(17)23)24-8-9-25-18(22)13-2-1-3-15(21)10-13/h1-7,10H,8-9,11H2.
What are the key properties of 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate?
2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate has a molecular weight of 393.22 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]oxy]ethyl 3-chlorobenzoate is sourced from PubChem (CID 71769136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).