1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol

C11H11BrO2S — CID 63992707

IUPAC1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1occc1Br
InChIInChI=1S/C11H11BrO2S/c1-7-4-6-15-10(7)11(2,13)9-8(12)3-5-14-9/h3-6,13H,1-2H3
InChIKeyBZXKSELLCRWSBX-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.67
Rot. Bonds2

About 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol

1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 63992707) has the molecular formula C11H11BrO2S and a molecular weight of 287.18 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID63992707
Molecular FormulaC11H11BrO2S
Molecular Weight287.18 g/mol
Exact Mass285.97
IUPAC Name1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1occc1Br
InChIInChI=1S/C11H11BrO2S/c1-7-4-6-15-10(7)11(2,13)9-8(12)3-5-14-9/h3-6,13H,1-2H3
InChIKeyBZXKSELLCRWSBX-UHFFFAOYSA-N
XLogP3.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol (CID 63992707) is 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(C)(O)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is BZXKSELLCRWSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2S/c1-7-4-6-15-10(7)11(2,13)9-8(12)3-5-14-9/h3-6,13H,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol?
1-(3-bromofuran-2-yl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 287.18 g/mol, XLogP of 3.67, 2 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)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 63992707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).