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

C20H17FO5 — CID 71771014

IUPAC2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OCCOC1=C(c2ccccc2)C(=O)OC1
InChIInChI=1S/C20H17FO5/c21-16-8-6-14(7-9-16)12-18(22)25-11-10-24-17-13-26-20(23)19(17)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyHOJIRSYLSJIVKE-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.90
Rot. Bonds7

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

2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate (PubChem CID 71771014) has the molecular formula C20H17FO5 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate
PubChem CID71771014
Molecular FormulaC20H17FO5
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OCCOC1=C(c2ccccc2)C(=O)OC1
InChIInChI=1S/C20H17FO5/c21-16-8-6-14(7-9-16)12-18(22)25-11-10-24-17-13-26-20(23)19(17)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKeyHOJIRSYLSJIVKE-UHFFFAOYSA-N
XLogP2.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.90
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 2-(4-fluorophenyl)acetate?
The IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate (CID 71771014) is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate.
What is the SMILES notation for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate?
The canonical SMILES for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate is O=C(Cc1ccc(F)cc1)OCCOC1=C(c2ccccc2)C(=O)OC1.
What is the InChIKey of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate?
The InChIKey is HOJIRSYLSJIVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO5/c21-16-8-6-14(7-9-16)12-18(22)25-11-10-24-17-13-26-20(23)19(17)15-4-2-1-3-5-15/h1-9H,10-13H2.
What are the key properties of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate?
2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 2-(4-fluorophenyl)acetate has a molecular weight of 356.35 g/mol, XLogP of 2.90, 7 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 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 71771014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).