3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one

C21H20O2 — CID 11141244

IUPAC3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one
SMILESCCCC1=C(c2ccccc2)C(/C=C/c2ccccc2)OC1=O
InChIInChI=1S/C21H20O2/c1-2-9-18-20(17-12-7-4-8-13-17)19(23-21(18)22)15-14-16-10-5-3-6-11-16/h3-8,10-15,19H,2,9H2,1H3/b15-14+
InChIKeyBHAGROZLZABGFB-CCEZHUSRSA-N
MW304.39 g/mol
LogP4.88
Rot. Bonds5

About 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one

3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one (PubChem CID 11141244) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one.

Molecular Properties

Compound Name3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one
PubChem CID11141244
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one
SMILESCCCC1=C(c2ccccc2)C(/C=C/c2ccccc2)OC1=O
InChIInChI=1S/C21H20O2/c1-2-9-18-20(17-12-7-4-8-13-17)19(23-21(18)22)15-14-16-10-5-3-6-11-16/h3-8,10-15,19H,2,9H2,1H3/b15-14+
InChIKeyBHAGROZLZABGFB-CCEZHUSRSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
CID 5250336
7,8-diphenyl-5-propyl-3-oxabicyclo[4.2.0]octa-1(8),5-dien-4-one
CID 102323351
3-phenyl-4-propyl-2H-furan-5-one
CID 118283591
3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione
CID 57149375
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 54092539
3-ethyl-4-(2-phenylethenyl)azetidin-2-one
CID 54427704
2,3-diethyl-6-(2-phenylethenyl)cyclohexa-2,4-dien-1-one
CID 174984741
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
(3S)-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162808864
3-phenyl-1-(4-propylphenyl)prop-2-en-1-one
CID 162367124
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one?
The IUPAC name of 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one (CID 11141244) is 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one.
What is the SMILES notation for 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one?
The canonical SMILES for 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one is CCCC1=C(c2ccccc2)C(/C=C/c2ccccc2)OC1=O.
What is the InChIKey of 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one?
The InChIKey is BHAGROZLZABGFB-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H20O2/c1-2-9-18-20(17-12-7-4-8-13-17)19(23-21(18)22)15-14-16-10-5-3-6-11-16/h3-8,10-15,19H,2,9H2,1H3/b15-14+.
What are the key properties of 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one?
3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one has a molecular weight of 304.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(E)-2-phenylethenyl]-4-propyl-2H-furan-5-one is sourced from PubChem (CID 11141244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).