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

C11H15BrO2S — CID 116710510

IUPAC2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
SMILESCOC1(C(O)Cc2cc(Br)cs2)CCC1
InChIInChI=1S/C11H15BrO2S/c1-14-11(3-2-4-11)10(13)6-9-5-8(12)7-15-9/h5,7,10,13H,2-4,6H2,1H3
InChIKeyWUFWCHMBGJJKQY-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.98
Rot. Bonds4

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

2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol (PubChem CID 116710510) has the molecular formula C11H15BrO2S and a molecular weight of 291.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
PubChem CID116710510
Molecular FormulaC11H15BrO2S
Molecular Weight291.21 g/mol
Exact Mass290.00
IUPAC Name2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol
SMILESCOC1(C(O)Cc2cc(Br)cs2)CCC1
InChIInChI=1S/C11H15BrO2S/c1-14-11(3-2-4-11)10(13)6-9-5-8(12)7-15-9/h5,7,10,13H,2-4,6H2,1H3
InChIKeyWUFWCHMBGJJKQY-UHFFFAOYSA-N
XLogP2.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.98
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-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-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710611
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
2-(3-bromophenyl)-1-(1-methoxycyclohexyl)ethanol
CID 116753460
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
[2-(4-bromothiophen-2-yl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278505
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116706997

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol (CID 116710510) is 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol is COC1(C(O)Cc2cc(Br)cs2)CCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol?
The InChIKey is WUFWCHMBGJJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2S/c1-14-11(3-2-4-11)10(13)6-9-5-8(12)7-15-9/h5,7,10,13H,2-4,6H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanol has a molecular weight of 291.21 g/mol, XLogP of 2.98, 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-methoxycyclobutyl)ethanol is sourced from PubChem (CID 116710510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).