2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate

C19H15FO5 — CID 71770777

IUPAC2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate
SMILESO=C1OCC(OCCOC(=O)c2ccc(F)cc2)=C1c1ccccc1
InChIInChI=1S/C19H15FO5/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyXFVHBNUWDXCBAZ-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.97
Rot. Bonds6

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

2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate (PubChem CID 71770777) has the molecular formula C19H15FO5 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate.

Molecular Properties

Compound Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate
PubChem CID71770777
Molecular FormulaC19H15FO5
Molecular Weight342.32 g/mol
Exact Mass342.09
IUPAC Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate
SMILESO=C1OCC(OCCOC(=O)c2ccc(F)cc2)=C1c1ccccc1
InChIInChI=1S/C19H15FO5/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKeyXFVHBNUWDXCBAZ-UHFFFAOYSA-N
XLogP2.97
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.97
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-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate?
The IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate (CID 71770777) is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate.
What is the SMILES notation for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate?
The canonical SMILES for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate is O=C1OCC(OCCOC(=O)c2ccc(F)cc2)=C1c1ccccc1.
What is the InChIKey of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate?
The InChIKey is XFVHBNUWDXCBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO5/c20-15-8-6-14(7-9-15)18(21)24-11-10-23-16-12-25-19(22)17(16)13-4-2-1-3-5-13/h1-9H,10-12H2.
What are the key properties of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate?
2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate has a molecular weight of 342.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 4-fluorobenzoate is sourced from PubChem (CID 71770777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).