2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol

C12H17BrOS — CID 107192192

IUPAC2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol
SMILESCC1CCCC1C(O)Cc1cc(Br)cs1
InChIInChI=1S/C12H17BrOS/c1-8-3-2-4-11(8)12(14)6-10-5-9(13)7-15-10/h5,7-8,11-12,14H,2-4,6H2,1H3
InChIKeyNHBRYXBNJPQTDO-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.85
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol

2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol (PubChem CID 107192192) has the molecular formula C12H17BrOS and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol
PubChem CID107192192
Molecular FormulaC12H17BrOS
Molecular Weight289.24 g/mol
Exact Mass288.02
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol
SMILESCC1CCCC1C(O)Cc1cc(Br)cs1
InChIInChI=1S/C12H17BrOS/c1-8-3-2-4-11(8)12(14)6-10-5-9(13)7-15-10/h5,7-8,11-12,14H,2-4,6H2,1H3
InChIKeyNHBRYXBNJPQTDO-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
CID 62608065
2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393514
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
2-(2-bromo-3-fluorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192743
N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55218464
4-bromo-2-(3-bromo-2-cyclopentylpropyl)thiophene
CID 112570643
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
1-(2-methylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 107192609
2-(2,4-dichlorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192122
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066491
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol (CID 107192192) is 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol is CC1CCCC1C(O)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol?
The InChIKey is NHBRYXBNJPQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrOS/c1-8-3-2-4-11(8)12(14)6-10-5-9(13)7-15-10/h5,7-8,11-12,14H,2-4,6H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(2-methylcyclopentyl)ethanol has a molecular weight of 289.24 g/mol, XLogP of 3.85, 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-(2-methylcyclopentyl)ethanol is sourced from PubChem (CID 107192192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).