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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Related Compounds

2-(3-Bromo-5-fluorothiophen-2-yl)-2-(2-cyclohexylethyl)pentane-1,3-diol
CID 155776647
1-(3-Bromothiophen-2-yl)-4,4,4-trifluorobutan-2-ol
CID 62608238
1-(3-Bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64767758
1-(4-Bromothiophen-2-yl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770692
1-(3-Bromothiophen-2-yl)-5,5,5-trifluoropentan-2-ol
CID 79953900
1-(3-Bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312488
2-(3-Bromothiophen-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 105090914
2-(3-Bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105090934
2-(3-Bromothiophen-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105090935
2-(3-Bromothiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanol
CID 105091001
1-(3-Bromothiophen-2-yl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 113533948
2-(3-Bromothiophen-2-yl)-1-(3,3-difluorocyclohexyl)ethanol
CID 114215691

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).