3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one

C24H22O3 — CID 101185332

IUPAC3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
SMILESCCCC1=C(c2coc(Cc3ccccc3)c2)C(c2ccccc2)OC1=O
InChIInChI=1S/C24H22O3/c1-2-9-21-22(23(27-24(21)25)18-12-7-4-8-13-18)19-15-20(26-16-19)14-17-10-5-3-6-11-17/h3-8,10-13,15-16,23H,2,9,14H2,1H3
InChIKeyIJMRUPURJBPJKZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.72
Rot. Bonds6

About 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one

3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one (PubChem CID 101185332) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
PubChem CID101185332
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
SMILESCCCC1=C(c2coc(Cc3ccccc3)c2)C(c2ccccc2)OC1=O
InChIInChI=1S/C24H22O3/c1-2-9-21-22(23(27-24(21)25)18-12-7-4-8-13-18)19-15-20(26-16-19)14-17-10-5-3-6-11-17/h3-8,10-13,15-16,23H,2,9,14H2,1H3
InChIKeyIJMRUPURJBPJKZ-UHFFFAOYSA-N
XLogP5.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one?
The IUPAC name of 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one (CID 101185332) is 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one.
What is the SMILES notation for 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one?
The canonical SMILES for 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one is CCCC1=C(c2coc(Cc3ccccc3)c2)C(c2ccccc2)OC1=O.
What is the InChIKey of 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one?
The InChIKey is IJMRUPURJBPJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-2-9-21-22(23(27-24(21)25)18-12-7-4-8-13-18)19-15-20(26-16-19)14-17-10-5-3-6-11-17/h3-8,10-13,15-16,23H,2,9,14H2,1H3.
What are the key properties of 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one?
3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one has a molecular weight of 358.44 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one is sourced from PubChem (CID 101185332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).