3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran

C13H14I2O — CID 154711489

IUPAC3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran
SMILESCCCC1OC(c2ccccc2)C(I)=C1I
InChIInChI=1S/C13H14I2O/c1-2-6-10-11(14)12(15)13(16-10)9-7-4-3-5-8-9/h3-5,7-8,10,13H,2,6H2,1H3
InChIKeyUBEMBQOYMIDIEL-UHFFFAOYSA-N
MW440.06 g/mol
LogP5.01
Rot. Bonds3

About 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran

3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran (PubChem CID 154711489) has the molecular formula C13H14I2O and a molecular weight of 440.06 g/mol. Its IUPAC name is 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran.

Molecular Properties

Compound Name3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran
PubChem CID154711489
Molecular FormulaC13H14I2O
Molecular Weight440.06 g/mol
Exact Mass439.91
IUPAC Name3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran
SMILESCCCC1OC(c2ccccc2)C(I)=C1I
InChIInChI=1S/C13H14I2O/c1-2-6-10-11(14)12(15)13(16-10)9-7-4-3-5-8-9/h3-5,7-8,10,13H,2,6H2,1H3
InChIKeyUBEMBQOYMIDIEL-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.06
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-iodo-2-phenyl-5-propyl-2,5-dihydrofuran
CID 46915267
1-benzyl-5-phenyl-3-propyl-5H-4,1-benzoxazepin-2-one
CID 56980414
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2S,3S,4R,5S)-5-butyl-4-iodo-2-phenyloxolan-3-ol
CID 15457978
butanal;2-phenyloxirane;4-phenyl-2-propyl-1,3-dioxolane
CID 158152316
(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
(4-propylcyclohexyl)benzene
CID 155887669
3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
CID 5250336
(4R,5S)-5-phenyl-4-propyl-1,3-oxazolidine
CID 11019670
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
CID 102009380

Frequently Asked Questions

What is the IUPAC name of 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran?
The IUPAC name of 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran (CID 154711489) is 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran.
What is the SMILES notation for 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran?
The canonical SMILES for 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran is CCCC1OC(c2ccccc2)C(I)=C1I.
What is the InChIKey of 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran?
The InChIKey is UBEMBQOYMIDIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14I2O/c1-2-6-10-11(14)12(15)13(16-10)9-7-4-3-5-8-9/h3-5,7-8,10,13H,2,6H2,1H3.
What are the key properties of 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran?
3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran has a molecular weight of 440.06 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diiodo-2-phenyl-5-propyl-2,5-dihydrofuran is sourced from PubChem (CID 154711489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).