2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol

C13H19BrOS — CID 62606388

IUPAC2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2ccc(Br)s2)C1
InChIInChI=1S/C13H19BrOS/c1-9-3-2-4-10(7-9)12(15)8-11-5-6-13(14)16-11/h5-6,9-10,12,15H,2-4,7-8H2,1H3
InChIKeyCZGRAGPGLNGWCG-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.24
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol

2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol (PubChem CID 62606388) has the molecular formula C13H19BrOS and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol
PubChem CID62606388
Molecular FormulaC13H19BrOS
Molecular Weight303.26 g/mol
Exact Mass302.03
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol
SMILESCC1CCCC(C(O)Cc2ccc(Br)s2)C1
InChIInChI=1S/C13H19BrOS/c1-9-3-2-4-10(7-9)12(15)8-11-5-6-13(14)16-11/h5-6,9-10,12,15H,2-4,7-8H2,1H3
InChIKeyCZGRAGPGLNGWCG-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol (CID 62606388) is 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol is CC1CCCC(C(O)Cc2ccc(Br)s2)C1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol?
The InChIKey is CZGRAGPGLNGWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrOS/c1-9-3-2-4-10(7-9)12(15)8-11-5-6-13(14)16-11/h5-6,9-10,12,15H,2-4,7-8H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol?
2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol has a molecular weight of 303.26 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-methylcyclohexyl)ethanol is sourced from PubChem (CID 62606388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).