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

C13H19BrO2S — CID 116753085

IUPAC2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
SMILESCCOC1(C(O)Cc2cc(Br)cs2)CCCC1
InChIInChI=1S/C13H19BrO2S/c1-2-16-13(5-3-4-6-13)12(15)8-11-7-10(14)9-17-11/h7,9,12,15H,2-6,8H2,1H3
InChIKeyKVFUSYQYCHWWNQ-UHFFFAOYSA-N
MW319.26 g/mol
LogP3.76
Rot. Bonds5

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

2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol (PubChem CID 116753085) has the molecular formula C13H19BrO2S and a molecular weight of 319.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
PubChem CID116753085
Molecular FormulaC13H19BrO2S
Molecular Weight319.26 g/mol
Exact Mass318.03
IUPAC Name2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
SMILESCCOC1(C(O)Cc2cc(Br)cs2)CCCC1
InChIInChI=1S/C13H19BrO2S/c1-2-16-13(5-3-4-6-13)12(15)8-11-7-10(14)9-17-11/h7,9,12,15H,2-6,8H2,1H3
InChIKeyKVFUSYQYCHWWNQ-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
CID 104610489
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
[2-(4-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278505
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066491
2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226
2-(2-bromo-5-methoxyphenyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753002
1-(1-ethoxycyclohexyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 116753691
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
2-(2-bromo-3-fluorophenyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756150
1-(4-bromothiophen-2-yl)-3-ethoxy-3-ethylpentan-2-ol
CID 116752512
2-(2,4-dichlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753637

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol (CID 116753085) is 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol is CCOC1(C(O)Cc2cc(Br)cs2)CCCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol?
The InChIKey is KVFUSYQYCHWWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2S/c1-2-16-13(5-3-4-6-13)12(15)8-11-7-10(14)9-17-11/h7,9,12,15H,2-6,8H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol has a molecular weight of 319.26 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol is sourced from PubChem (CID 116753085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).