1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol

C10H9BrO2S — CID 63944002

IUPAC1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1occc1Br
InChIInChI=1S/C10H9BrO2S/c11-8-3-4-13-10(8)9(12)6-7-2-1-5-14-7/h1-5,9,12H,6H2
InChIKeyYFPKLHSXULDOGR-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.38
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol

1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol (PubChem CID 63944002) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol
PubChem CID63944002
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol
SMILESOC(Cc1cccs1)c1occc1Br
InChIInChI=1S/C10H9BrO2S/c11-8-3-4-13-10(8)9(12)6-7-2-1-5-14-7/h1-5,9,12H,6H2
InChIKeyYFPKLHSXULDOGR-UHFFFAOYSA-N
XLogP3.38
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.38
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-thiophen-2-ylethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol (CID 63944002) is 1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol is OC(Cc1cccs1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol?
The InChIKey is YFPKLHSXULDOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c11-8-3-4-13-10(8)9(12)6-7-2-1-5-14-7/h1-5,9,12H,6H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol?
1-(3-bromofuran-2-yl)-2-thiophen-2-ylethanol has a molecular weight of 273.15 g/mol, XLogP of 3.38, 3 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-thiophen-2-ylethanol is sourced from PubChem (CID 63944002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).