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

C12H17BrO2S — CID 104610489

IUPAC2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
SMILESCOC1(C(O)Cc2cc(Br)cs2)CCCC1
InChIInChI=1S/C12H17BrO2S/c1-15-12(4-2-3-5-12)11(14)7-10-6-9(13)8-16-10/h6,8,11,14H,2-5,7H2,1H3
InChIKeyGUKAPXKPKJMTEM-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.37
Rot. Bonds4

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

2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol (PubChem CID 104610489) has the molecular formula C12H17BrO2S and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
PubChem CID104610489
Molecular FormulaC12H17BrO2S
Molecular Weight305.24 g/mol
Exact Mass304.01
IUPAC Name2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol
SMILESCOC1(C(O)Cc2cc(Br)cs2)CCCC1
InChIInChI=1S/C12H17BrO2S/c1-15-12(4-2-3-5-12)11(14)7-10-6-9(13)8-16-10/h6,8,11,14H,2-5,7H2,1H3
InChIKeyGUKAPXKPKJMTEM-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710510
2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753085
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066491
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol
CID 116755831
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753489
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
CID 104800613
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol (CID 104610489) is 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol is COC1(C(O)Cc2cc(Br)cs2)CCCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol?
The InChIKey is GUKAPXKPKJMTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2S/c1-15-12(4-2-3-5-12)11(14)7-10-6-9(13)8-16-10/h6,8,11,14H,2-5,7H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclopentyl)ethanol has a molecular weight of 305.24 g/mol, XLogP of 3.37, 4 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-methoxycyclopentyl)ethanol is sourced from PubChem (CID 104610489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).