4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile

C20H14FNO2 — CID 15086705

IUPAC4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccc(C#N)cc2)=CC1=O
InChIInChI=1S/C20H14FNO2/c1-20(16-7-9-17(21)10-8-16)19(23)12-18(24-20)11-6-14-2-4-15(13-22)5-3-14/h2-12H,1H3/b11-6+
InChIKeyALCIVYJAORGJNU-IZZDOVSWSA-N
MW319.34 g/mol
LogP4.11
Rot. Bonds3

About 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile

4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile (PubChem CID 15086705) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile
PubChem CID15086705
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccc(C#N)cc2)=CC1=O
InChIInChI=1S/C20H14FNO2/c1-20(16-7-9-17(21)10-8-16)19(23)12-18(24-20)11-6-14-2-4-15(13-22)5-3-14/h2-12H,1H3/b11-6+
InChIKeyALCIVYJAORGJNU-IZZDOVSWSA-N
XLogP4.11
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile (CID 15086705) is 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile is CC1(c2ccc(F)cc2)OC(/C=C/c2ccc(C#N)cc2)=CC1=O.
What is the InChIKey of 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile?
The InChIKey is ALCIVYJAORGJNU-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H14FNO2/c1-20(16-7-9-17(21)10-8-16)19(23)12-18(24-20)11-6-14-2-4-15(13-22)5-3-14/h2-12H,1H3/b11-6+.
What are the key properties of 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile?
4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile has a molecular weight of 319.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-(4-fluorophenyl)-5-methyl-4-oxofuran-2-yl]ethenyl]benzonitrile is sourced from PubChem (CID 15086705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).