[2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate

C18H13FO5 — CID 4288610

IUPAC[2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
SMILESO=C(CC1OC(=O)c2ccccc21)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H13FO5/c19-12-7-5-11(6-8-12)15(20)10-23-17(21)9-16-13-3-1-2-4-14(13)18(22)24-16/h1-8,16H,9-10H2
InChIKeyAFRMAPODVBILGG-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.85
Rot. Bonds5

About [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate

[2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate (PubChem CID 4288610) has the molecular formula C18H13FO5 and a molecular weight of 328.30 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
PubChem CID4288610
Molecular FormulaC18H13FO5
Molecular Weight328.30 g/mol
Exact Mass328.07
IUPAC Name[2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate
SMILESO=C(CC1OC(=O)c2ccccc21)OCC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H13FO5/c19-12-7-5-11(6-8-12)15(20)10-23-17(21)9-16-13-3-1-2-4-14(13)18(22)24-16/h1-8,16H,9-10H2
InChIKeyAFRMAPODVBILGG-UHFFFAOYSA-N
XLogP2.85
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate?
The IUPAC name of [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate (CID 4288610) is [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate.
What is the SMILES notation for [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate?
The canonical SMILES for [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate is O=C(CC1OC(=O)c2ccccc21)OCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate?
The InChIKey is AFRMAPODVBILGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO5/c19-12-7-5-11(6-8-12)15(20)10-23-17(21)9-16-13-3-1-2-4-14(13)18(22)24-16/h1-8,16H,9-10H2.
What are the key properties of [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate?
[2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate has a molecular weight of 328.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-oxoethyl] 2-(3-oxo-1H-2-benzofuran-1-yl)acetate is sourced from PubChem (CID 4288610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).