4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran

C11H10BrIO2 — CID 46915109

IUPAC4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran
SMILESCOc1ccc(C2OCC(Br)=C2I)cc1
InChIInChI=1S/C11H10BrIO2/c1-14-8-4-2-7(3-5-8)11-10(13)9(12)6-15-11/h2-5,11H,6H2,1H3
InChIKeySOWQUSNNIHJENN-UHFFFAOYSA-N
MW381.01 g/mol
LogP3.81
Rot. Bonds2

About 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran

4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran (PubChem CID 46915109) has the molecular formula C11H10BrIO2 and a molecular weight of 381.01 g/mol. Its IUPAC name is 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran.

Molecular Properties

Compound Name4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran
PubChem CID46915109
Molecular FormulaC11H10BrIO2
Molecular Weight381.01 g/mol
Exact Mass379.89
IUPAC Name4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran
SMILESCOc1ccc(C2OCC(Br)=C2I)cc1
InChIInChI=1S/C11H10BrIO2/c1-14-8-4-2-7(3-5-8)11-10(13)9(12)6-15-11/h2-5,11H,6H2,1H3
InChIKeySOWQUSNNIHJENN-UHFFFAOYSA-N
XLogP3.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.01
LogP ≤ 53.81
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

CID 11818893
CID 11818893
2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
CID 18704700
(2R,3R)-2-bromo-3-(4-methoxyphenyl)-1,4-dioxane
CID 162408429
2-(4-methoxyphenyl)-1,3-dithiolane
CID 23175
(2R,3R)-2,3-bis(4-methoxyphenyl)-5-methylidene-1,4-dioxane
CID 11716583
2-(4-methoxyphenyl)-1,3-dioxan-5-ol
CID 13478629
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde
CID 154117618
1-[(1R)-2-iodocyclopent-2-en-1-yl]-4-methoxybenzene
CID 101343344
4-(4-methoxyphenyl)-2-methyloxolane
CID 173252493
(2S,5R)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)oxolane
CID 11807821
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran?
The IUPAC name of 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran (CID 46915109) is 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran.
What is the SMILES notation for 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran?
The canonical SMILES for 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran is COc1ccc(C2OCC(Br)=C2I)cc1.
What is the InChIKey of 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran?
The InChIKey is SOWQUSNNIHJENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIO2/c1-14-8-4-2-7(3-5-8)11-10(13)9(12)6-15-11/h2-5,11H,6H2,1H3.
What are the key properties of 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran?
4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran has a molecular weight of 381.01 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-iodo-2-(4-methoxyphenyl)-2,5-dihydrofuran is sourced from PubChem (CID 46915109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).