(3-bromofuran-2-yl)-thiophen-2-ylmethanol

C9H7BrO2S — CID 63943591

IUPAC(3-bromofuran-2-yl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1occc1Br
InChIInChI=1S/C9H7BrO2S/c10-6-3-4-12-9(6)8(11)7-2-1-5-13-7/h1-5,8,11H
InChIKeyUIORKWVWBXIXNX-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.19
Rot. Bonds2

About (3-bromofuran-2-yl)-thiophen-2-ylmethanol

(3-bromofuran-2-yl)-thiophen-2-ylmethanol (PubChem CID 63943591) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-thiophen-2-ylmethanol
PubChem CID63943591
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name(3-bromofuran-2-yl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1occc1Br
InChIInChI=1S/C9H7BrO2S/c10-6-3-4-12-9(6)8(11)7-2-1-5-13-7/h1-5,8,11H
InChIKeyUIORKWVWBXIXNX-UHFFFAOYSA-N
XLogP3.19
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-thiophen-2-ylmethanol?
The IUPAC name of (3-bromofuran-2-yl)-thiophen-2-ylmethanol (CID 63943591) is (3-bromofuran-2-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (3-bromofuran-2-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (3-bromofuran-2-yl)-thiophen-2-ylmethanol is OC(c1cccs1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-thiophen-2-ylmethanol?
The InChIKey is UIORKWVWBXIXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c10-6-3-4-12-9(6)8(11)7-2-1-5-13-7/h1-5,8,11H.
What are the key properties of (3-bromofuran-2-yl)-thiophen-2-ylmethanol?
(3-bromofuran-2-yl)-thiophen-2-ylmethanol has a molecular weight of 259.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 63943591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).