1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol

C12H19BrO3 — CID 116752637

IUPAC1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1occc1Br
InChIInChI=1S/C12H19BrO3/c1-4-12(5-2,16-6-3)11(14)10-9(13)7-8-15-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyXVPRWSLLDYLLJH-UHFFFAOYSA-N
MW291.18 g/mol
LogP3.67
Rot. Bonds6

About 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol

1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol (PubChem CID 116752637) has the molecular formula C12H19BrO3 and a molecular weight of 291.18 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol
PubChem CID116752637
Molecular FormulaC12H19BrO3
Molecular Weight291.18 g/mol
Exact Mass290.05
IUPAC Name1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol
SMILESCCOC(CC)(CC)C(O)c1occc1Br
InChIInChI=1S/C12H19BrO3/c1-4-12(5-2,16-6-3)11(14)10-9(13)7-8-15-10/h7-8,11,14H,4-6H2,1-3H3
InChIKeyXVPRWSLLDYLLJH-UHFFFAOYSA-N
XLogP3.67
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol (CID 116752637) is 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol is CCOC(CC)(CC)C(O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol?
The InChIKey is XVPRWSLLDYLLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrO3/c1-4-12(5-2,16-6-3)11(14)10-9(13)7-8-15-10/h7-8,11,14H,4-6H2,1-3H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol?
1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol has a molecular weight of 291.18 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-ethoxy-2-ethylbutan-1-ol is sourced from PubChem (CID 116752637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).