2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan

C11H11IO2 — CID 143593973

IUPAC2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan
SMILESCc1cc(CCc2coc(I)c2)co1
InChIInChI=1S/C11H11IO2/c1-8-4-9(6-13-8)2-3-10-5-11(12)14-7-10/h4-7H,2-3H2,1H3
InChIKeyLDBFHVCJDWSSAL-UHFFFAOYSA-N
MW302.11 g/mol
LogP3.57
Rot. Bonds3

About 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan

2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan (PubChem CID 143593973) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan.

Molecular Properties

Compound Name2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan
PubChem CID143593973
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Name2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan
SMILESCc1cc(CCc2coc(I)c2)co1
InChIInChI=1S/C11H11IO2/c1-8-4-9(6-13-8)2-3-10-5-11(12)14-7-10/h4-7H,2-3H2,1H3
InChIKeyLDBFHVCJDWSSAL-UHFFFAOYSA-N
XLogP3.57
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Pentylfuran
CID 19602
2-Butylfuran
CID 20534
3-(5-Methyl-2-furyl)butanal
CID 3578033
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
Acrylophenone, 3-(2-furyl)-
CID 5354164
Lepalone
CID 535169
Isofuranodiene
CID 636458
1,5-Di-2-furylpentan-3-one
CID 80175
Furan, 2,2'-(1-methylethylidene)bis-
CID 595339
Elsholtziaketone
CID 521240
2,3'-Bifuran, 2,3,4,5-tetrahydro-5-methyl-5-[(4-methyl-2-furanyl)methyl]-
CID 591897

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan?
The IUPAC name of 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan (CID 143593973) is 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan.
What is the SMILES notation for 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan?
The canonical SMILES for 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan is Cc1cc(CCc2coc(I)c2)co1.
What is the InChIKey of 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan?
The InChIKey is LDBFHVCJDWSSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c1-8-4-9(6-13-8)2-3-10-5-11(12)14-7-10/h4-7H,2-3H2,1H3.
What are the key properties of 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan?
2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan has a molecular weight of 302.11 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-[2-(5-methylfuran-3-yl)ethyl]furan is sourced from PubChem (CID 143593973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).