2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol

C11H11BrO2S2 — CID 115785760

IUPAC2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCOc1ccsc1C(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H11BrO2S2/c1-14-9-4-5-15-11(9)8(13)6-7-2-3-10(12)16-7/h2-5,8,13H,6H2,1H3
InChIKeyDNEQEBTTYBVGSN-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.86
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol (PubChem CID 115785760) has the molecular formula C11H11BrO2S2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
PubChem CID115785760
Molecular FormulaC11H11BrO2S2
Molecular Weight319.25 g/mol
Exact Mass317.94
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCOc1ccsc1C(O)Cc1ccc(Br)s1
InChIInChI=1S/C11H11BrO2S2/c1-14-9-4-5-15-11(9)8(13)6-7-2-3-10(12)16-7/h2-5,8,13H,6H2,1H3
InChIKeyDNEQEBTTYBVGSN-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115786008
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 115840988
2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol
CID 81129167
2-bromo-5-[bromo-(3-methoxythiophen-2-yl)methyl]thiophene
CID 81124929
2-(5-bromothiophen-2-yl)-1-thiophen-2-ylethanol
CID 62607214
2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol
CID 81129535
1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832109
1-(3-methoxythiophen-2-yl)decan-1-ol
CID 115782906
2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol
CID 65149874
1-(5-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198455
[2-(5-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191030
2-(5-bromothiophen-2-yl)-1-(3-methylphenyl)ethanol
CID 62606126

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol (CID 115785760) is 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol is COc1ccsc1C(O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol?
The InChIKey is DNEQEBTTYBVGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2S2/c1-14-9-4-5-15-11(9)8(13)6-7-2-3-10(12)16-7/h2-5,8,13H,6H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol has a molecular weight of 319.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 115785760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).