ethyl 2-(3-bromofuran-2-yl)propanoate

C9H11BrO3 — CID 101398465

IUPACethyl 2-(3-bromofuran-2-yl)propanoate
SMILESCCOC(=O)C(C)c1occc1Br
InChIInChI=1S/C9H11BrO3/c1-3-12-9(11)6(2)8-7(10)4-5-13-8/h4-6H,3H2,1-2H3
InChIKeyRPGGURZOWANUEG-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.71
Rot. Bonds3

About ethyl 2-(3-bromofuran-2-yl)propanoate

ethyl 2-(3-bromofuran-2-yl)propanoate (PubChem CID 101398465) has the molecular formula C9H11BrO3 and a molecular weight of 247.09 g/mol. Its IUPAC name is ethyl 2-(3-bromofuran-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-bromofuran-2-yl)propanoate
PubChem CID101398465
Molecular FormulaC9H11BrO3
Molecular Weight247.09 g/mol
Exact Mass245.99
IUPAC Nameethyl 2-(3-bromofuran-2-yl)propanoate
SMILESCCOC(=O)C(C)c1occc1Br
InChIInChI=1S/C9H11BrO3/c1-3-12-9(11)6(2)8-7(10)4-5-13-8/h4-6H,3H2,1-2H3
InChIKeyRPGGURZOWANUEG-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-bromofuran-2-yl)pentanoate
CID 83042433
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
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ethyl 2-(2,3-dibromophenyl)propanoate
CID 141245213
1-(3-bromofuran-2-yl)pentane-1,2-diol
CID 103454948
3-amino-1-(3-bromofuran-2-yl)-2-methylpropan-1-ol
CID 106889652
ethyl 3-(3-bromofuran-2-yl)prop-2-enoate
CID 105422223
1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752637
ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
CID 106885924
ethyl 2-(4-bromo-3-chlorophenyl)propanoate
CID 105426704
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
1-(3-bromofuran-2-yl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721618
ethyl (2S)-2-phenylpropanoate
CID 7204861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromofuran-2-yl)propanoate?
The IUPAC name of ethyl 2-(3-bromofuran-2-yl)propanoate (CID 101398465) is ethyl 2-(3-bromofuran-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-bromofuran-2-yl)propanoate?
The canonical SMILES for ethyl 2-(3-bromofuran-2-yl)propanoate is CCOC(=O)C(C)c1occc1Br.
What is the InChIKey of ethyl 2-(3-bromofuran-2-yl)propanoate?
The InChIKey is RPGGURZOWANUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3/c1-3-12-9(11)6(2)8-7(10)4-5-13-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-bromofuran-2-yl)propanoate?
ethyl 2-(3-bromofuran-2-yl)propanoate has a molecular weight of 247.09 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromofuran-2-yl)propanoate is sourced from PubChem (CID 101398465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).