1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol

C12H17BrO2S — CID 65139895

IUPAC1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol
SMILESOC(CSC1CCCCC1)c1occc1Br
InChIInChI=1S/C12H17BrO2S/c13-10-6-7-15-12(10)11(14)8-16-9-4-2-1-3-5-9/h6-7,9,11,14H,1-5,8H2
InChIKeyLGLJMEAPKWTTBS-UHFFFAOYSA-N
MW305.24 g/mol
LogP4.14
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol

1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol (PubChem CID 65139895) has the molecular formula C12H17BrO2S and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol
PubChem CID65139895
Molecular FormulaC12H17BrO2S
Molecular Weight305.24 g/mol
Exact Mass304.01
IUPAC Name1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol
SMILESOC(CSC1CCCCC1)c1occc1Br
InChIInChI=1S/C12H17BrO2S/c13-10-6-7-15-12(10)11(14)8-16-9-4-2-1-3-5-9/h6-7,9,11,14H,1-5,8H2
InChIKeyLGLJMEAPKWTTBS-UHFFFAOYSA-N
XLogP4.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 54.14
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-cyclohexylsulfanylethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol (CID 65139895) is 1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol is OC(CSC1CCCCC1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol?
The InChIKey is LGLJMEAPKWTTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2S/c13-10-6-7-15-12(10)11(14)8-16-9-4-2-1-3-5-9/h6-7,9,11,14H,1-5,8H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol?
1-(3-bromofuran-2-yl)-2-cyclohexylsulfanylethanol has a molecular weight of 305.24 g/mol, XLogP of 4.14, 4 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-cyclohexylsulfanylethanol is sourced from PubChem (CID 65139895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).