1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol

C12H17BrO2S — CID 103459201

IUPAC1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol
SMILESOC(c1cscc1Br)C(O)C1CCCCC1
InChIInChI=1S/C12H17BrO2S/c13-10-7-16-6-9(10)12(15)11(14)8-4-2-1-3-5-8/h6-8,11-12,14-15H,1-5H2
InChIKeyZEYHBXHEZJOENY-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol

1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol (PubChem CID 103459201) has the molecular formula C12H17BrO2S and a molecular weight of 305.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol
PubChem CID103459201
Molecular FormulaC12H17BrO2S
Molecular Weight305.24 g/mol
Exact Mass304.01
IUPAC Name1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol
SMILESOC(c1cscc1Br)C(O)C1CCCCC1
InChIInChI=1S/C12H17BrO2S/c13-10-7-16-6-9(10)12(15)11(14)8-4-2-1-3-5-8/h6-8,11-12,14-15H,1-5H2
InChIKeyZEYHBXHEZJOENY-UHFFFAOYSA-N
XLogP3.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-3-yl)-cyclohexylmethanol
CID 79596363
(4-bromothiophen-3-yl)-cyclopropylmethanol
CID 79596364
7-bicyclo[4.1.0]heptanyl-(4-bromothiophen-3-yl)methanol
CID 115820159
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-bromothiophen-3-yl)methanol
CID 115820008
1-(4-bromothiophen-3-yl)-2-phenylethane-1,2-diol
CID 103459511
1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol
CID 115820137
[1-(4-bromothiophen-3-yl)-2-cyclopropylpropyl]hydrazine
CID 105322583
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol
CID 79596578
(4-bromothiophen-3-yl)-(2-methyloxan-2-yl)methanol
CID 80684689
1-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105010609
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79595083

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol (CID 103459201) is 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol is OC(c1cscc1Br)C(O)C1CCCCC1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol?
The InChIKey is ZEYHBXHEZJOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2S/c13-10-7-16-6-9(10)12(15)11(14)8-4-2-1-3-5-8/h6-8,11-12,14-15H,1-5H2.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol?
1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol has a molecular weight of 305.24 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-cyclohexylethane-1,2-diol is sourced from PubChem (CID 103459201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).