2-(4-bromothiophen-2-yl)-1-cyclohexylethanol

C12H17BrOS — CID 62606517

IUPAC2-(4-bromothiophen-2-yl)-1-cyclohexylethanol
SMILESOC(Cc1cc(Br)cs1)C1CCCCC1
InChIInChI=1S/C12H17BrOS/c13-10-6-11(15-8-10)7-12(14)9-4-2-1-3-5-9/h6,8-9,12,14H,1-5,7H2
InChIKeyBHIOPEYEOXTKRT-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.99
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol

2-(4-bromothiophen-2-yl)-1-cyclohexylethanol (PubChem CID 62606517) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-cyclohexylethanol
PubChem CID62606517
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name2-(4-bromothiophen-2-yl)-1-cyclohexylethanol
SMILESOC(Cc1cc(Br)cs1)C1CCCCC1
InChIInChI=1S/C12H17BrOS/c13-10-6-11(15-8-10)7-12(14)9-4-2-1-3-5-9/h6,8-9,12,14H,1-5,7H2
InChIKeyBHIOPEYEOXTKRT-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol (CID 62606517) is 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol is OC(Cc1cc(Br)cs1)C1CCCCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol?
The InChIKey is BHIOPEYEOXTKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c13-10-6-11(15-8-10)7-12(14)9-4-2-1-3-5-9/h6,8-9,12,14H,1-5,7H2.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol?
2-(4-bromothiophen-2-yl)-1-cyclohexylethanol has a molecular weight of 289.24 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-cyclohexylethanol is sourced from PubChem (CID 62606517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).