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

C26H26O4 — CID 5250336

IUPAC3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
SMILESCCCC1=C(C2=C(CCC)C(=O)OC2c2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C26H26O4/c1-3-11-19-21(23(29-25(19)27)17-13-7-5-8-14-17)22-20(12-4-2)26(28)30-24(22)18-15-9-6-10-16-18/h5-10,13-16,23-24H,3-4,11-12H2,1-2H3
InChIKeyXSTKUUYBFPWMAX-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.78
Rot. Bonds7

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

3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one (PubChem CID 5250336) has the molecular formula C26H26O4 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
PubChem CID5250336
Molecular FormulaC26H26O4
Molecular Weight402.49 g/mol
Exact Mass402.18
IUPAC Name3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
SMILESCCCC1=C(C2=C(CCC)C(=O)OC2c2ccccc2)C(c2ccccc2)OC1=O
InChIInChI=1S/C26H26O4/c1-3-11-19-21(23(29-25(19)27)17-13-7-5-8-14-17)22-20(12-4-2)26(28)30-24(22)18-15-9-6-10-16-18/h5-10,13-16,23-24H,3-4,11-12H2,1-2H3
InChIKeyXSTKUUYBFPWMAX-UHFFFAOYSA-N
XLogP5.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
3-(5-benzylfuran-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
CID 101185332
2-phenyl-3-prop-2-enyl-4-propyl-2H-furan-5-one
CID 10922728
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one
CID 11141244
7,8-diphenyl-5-propyl-3-oxabicyclo[4.2.0]octa-1(8),5-dien-4-one
CID 102323351
4,5-diphenyl-2,3-dipropylcyclopent-2-en-1-one
CID 73080839
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
4-chloro-2-phenyl-3-propylsulfanyl-2H-furan-5-one
CID 13295221
4-ethyl-3-[(Z)-3-hydroxy-2-iodo-3-methylbut-1-enyl]-2-phenyl-2H-furan-5-one
CID 102381185
3-chloro-4-methyl-2-phenyl-2H-furan-5-one
CID 10560334

Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one?
The IUPAC name of 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one (CID 5250336) is 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one.
What is the SMILES notation for 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one?
The canonical SMILES for 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one is CCCC1=C(C2=C(CCC)C(=O)OC2c2ccccc2)C(c2ccccc2)OC1=O.
What is the InChIKey of 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one?
The InChIKey is XSTKUUYBFPWMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O4/c1-3-11-19-21(23(29-25(19)27)17-13-7-5-8-14-17)22-20(12-4-2)26(28)30-24(22)18-15-9-6-10-16-18/h5-10,13-16,23-24H,3-4,11-12H2,1-2H3.
What are the key properties of 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one?
3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one has a molecular weight of 402.49 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one is sourced from PubChem (CID 5250336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).