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

C11H15BrO3 — CID 83042433

IUPACethyl 2-(3-bromofuran-2-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1occc1Br
InChIInChI=1S/C11H15BrO3/c1-3-5-8(11(13)14-4-2)10-9(12)6-7-15-10/h6-8H,3-5H2,1-2H3
InChIKeyVYEOPSXEYIQQKN-UHFFFAOYSA-N
MW275.14 g/mol
LogP3.49
Rot. Bonds5

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

ethyl 2-(3-bromofuran-2-yl)pentanoate (PubChem CID 83042433) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is ethyl 2-(3-bromofuran-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-bromofuran-2-yl)pentanoate
PubChem CID83042433
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Nameethyl 2-(3-bromofuran-2-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1occc1Br
InChIInChI=1S/C11H15BrO3/c1-3-5-8(11(13)14-4-2)10-9(12)6-7-15-10/h6-8H,3-5H2,1-2H3
InChIKeyVYEOPSXEYIQQKN-UHFFFAOYSA-N
XLogP3.49
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-bromofuran-2-yl)propanoate
CID 101398465
1-(3-bromofuran-2-yl)pentane-1,2-diol
CID 103454948
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654
[1-(3-bromofuran-2-yl)-2-methoxypentyl]hydrazine
CID 105271903
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
1-(3-bromofuran-2-yl)-N,2-dimethylpentan-1-amine
CID 115861224
(3-bromofuran-2-yl)-(2-ethoxyphenyl)methanol
CID 63941239
ethyl (E)-3-(3-bromofuran-2-yl)-2-methylprop-2-enoate
CID 106885924
ethyl 3-(3-bromofuran-2-yl)prop-2-enoate
CID 105422223
ethyl 2-(3,4-dimethylphenyl)pentanoate
CID 83043344

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromofuran-2-yl)pentanoate?
The IUPAC name of ethyl 2-(3-bromofuran-2-yl)pentanoate (CID 83042433) is ethyl 2-(3-bromofuran-2-yl)pentanoate.
What is the SMILES notation for ethyl 2-(3-bromofuran-2-yl)pentanoate?
The canonical SMILES for ethyl 2-(3-bromofuran-2-yl)pentanoate is CCCC(C(=O)OCC)c1occc1Br.
What is the InChIKey of ethyl 2-(3-bromofuran-2-yl)pentanoate?
The InChIKey is VYEOPSXEYIQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-3-5-8(11(13)14-4-2)10-9(12)6-7-15-10/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(3-bromofuran-2-yl)pentanoate?
ethyl 2-(3-bromofuran-2-yl)pentanoate has a molecular weight of 275.14 g/mol, XLogP of 3.49, 5 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)pentanoate is sourced from PubChem (CID 83042433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).