2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol

C12H17BrOS — CID 115790909

IUPAC2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol
SMILESCC1(C(O)Cc2sccc2Br)CCCC1
InChIInChI=1S/C12H17BrOS/c1-12(5-2-3-6-12)11(14)8-10-9(13)4-7-15-10/h4,7,11,14H,2-3,5-6,8H2,1H3
InChIKeyAMMZTBYFPICSRL-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.99
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol

2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol (PubChem CID 115790909) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol
PubChem CID115790909
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol
SMILESCC1(C(O)Cc2sccc2Br)CCCC1
InChIInChI=1S/C12H17BrOS/c1-12(5-2-3-6-12)11(14)8-10-9(13)4-7-15-10/h4,7,11,14H,2-3,5-6,8H2,1H3
InChIKeyAMMZTBYFPICSRL-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-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol (CID 115790909) is 2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol is CC1(C(O)Cc2sccc2Br)CCCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol?
The InChIKey is AMMZTBYFPICSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c1-12(5-2-3-6-12)11(14)8-10-9(13)4-7-15-10/h4,7,11,14H,2-3,5-6,8H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol?
2-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol 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-(3-bromothiophen-2-yl)-1-(1-methylcyclopentyl)ethanol is sourced from PubChem (CID 115790909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).