methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate

C9H11BrO3 — CID 82622884

IUPACmethyl 2-(4-bromo-5-ethylfuran-2-yl)acetate
SMILESCCc1oc(CC(=O)OC)cc1Br
InChIInChI=1S/C9H11BrO3/c1-3-8-7(10)4-6(13-8)5-9(11)12-2/h4H,3,5H2,1-2H3
InChIKeyGCNQBUPEOCOWHA-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.32
Rot. Bonds3

About methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate

methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate (PubChem CID 82622884) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-5-ethylfuran-2-yl)acetate
PubChem CID82622884
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Namemethyl 2-(4-bromo-5-ethylfuran-2-yl)acetate
SMILESCCc1oc(CC(=O)OC)cc1Br
InChIInChI=1S/C9H11BrO3/c1-3-8-7(10)4-6(13-8)5-9(11)12-2/h4H,3,5H2,1-2H3
InChIKeyGCNQBUPEOCOWHA-UHFFFAOYSA-N
XLogP2.32
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate?
The IUPAC name of methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate (CID 82622884) is methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate?
The canonical SMILES for methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate is CCc1oc(CC(=O)OC)cc1Br.
What is the InChIKey of methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate?
The InChIKey is GCNQBUPEOCOWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-3-8-7(10)4-6(13-8)5-9(11)12-2/h4H,3,5H2,1-2H3.
What are the key properties of methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate?
methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate has a molecular weight of 247.09 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-5-ethylfuran-2-yl)acetate is sourced from PubChem (CID 82622884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).