2-bromo-4-(dimethoxymethyl)furan

C7H9BrO3 — CID 86156507

IUPAC2-bromo-4-(dimethoxymethyl)furan
SMILESCOC(OC)c1coc(Br)c1
InChIInChI=1S/C7H9BrO3/c1-9-7(10-2)5-3-6(8)11-4-5/h3-4,7H,1-2H3
InChIKeyJDASYTCAMKVJFM-UHFFFAOYSA-N
MW221.05 g/mol
LogP2.33
Rot. Bonds3

About 2-bromo-4-(dimethoxymethyl)furan

2-bromo-4-(dimethoxymethyl)furan (PubChem CID 86156507) has the molecular formula C7H9BrO3 and a molecular weight of 221.05 g/mol. Its IUPAC name is 2-bromo-4-(dimethoxymethyl)furan.

Molecular Properties

Compound Name2-bromo-4-(dimethoxymethyl)furan
PubChem CID86156507
Molecular FormulaC7H9BrO3
Molecular Weight221.05 g/mol
Exact Mass219.97
IUPAC Name2-bromo-4-(dimethoxymethyl)furan
SMILESCOC(OC)c1coc(Br)c1
InChIInChI=1S/C7H9BrO3/c1-9-7(10-2)5-3-6(8)11-4-5/h3-4,7H,1-2H3
InChIKeyJDASYTCAMKVJFM-UHFFFAOYSA-N
XLogP2.33
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-chloro-4-(dimethoxymethyl)benzene
CID 15300643
1-(5-bromofuran-3-yl)pent-3-yn-1-ol
CID 130735935
(5-bromofuran-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130747012
lithium 1-(dimethoxymethyl)-3,5-dimethoxybenzene-4-ide
CID 134894111
[4-(dimethoxymethyl)phenyl]-dimethylsilane
CID 150941180
5-(dimethoxymethyl)-1-benzofuran
CID 11816358
2-bromo-1,4-bis[methoxy(propan-2-yloxy)methyl]benzene
CID 142699776
(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol
CID 130654931
1-(5-bromofuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 131031441
2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine
CID 130747024
2,4-dibromo-1-(dimethoxymethyl)benzene
CID 72706043
5-bromo-6-(dimethoxymethyl)-1,3-benzodioxole
CID 11054906

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(dimethoxymethyl)furan?
The IUPAC name of 2-bromo-4-(dimethoxymethyl)furan (CID 86156507) is 2-bromo-4-(dimethoxymethyl)furan.
What is the SMILES notation for 2-bromo-4-(dimethoxymethyl)furan?
The canonical SMILES for 2-bromo-4-(dimethoxymethyl)furan is COC(OC)c1coc(Br)c1.
What is the InChIKey of 2-bromo-4-(dimethoxymethyl)furan?
The InChIKey is JDASYTCAMKVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO3/c1-9-7(10-2)5-3-6(8)11-4-5/h3-4,7H,1-2H3.
What are the key properties of 2-bromo-4-(dimethoxymethyl)furan?
2-bromo-4-(dimethoxymethyl)furan has a molecular weight of 221.05 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(dimethoxymethyl)furan is sourced from PubChem (CID 86156507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).