1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol

C11H17BrO2S — CID 105090894

IUPAC1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
SMILESCOC(C)CCC(O)Cc1sccc1Br
InChIInChI=1S/C11H17BrO2S/c1-8(14-2)3-4-9(13)7-11-10(12)5-6-15-11/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyHYKVIGUWGUCVFG-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.23
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol

1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol (PubChem CID 105090894) has the molecular formula C11H17BrO2S and a molecular weight of 293.23 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
PubChem CID105090894
Molecular FormulaC11H17BrO2S
Molecular Weight293.23 g/mol
Exact Mass292.01
IUPAC Name1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol
SMILESCOC(C)CCC(O)Cc1sccc1Br
InChIInChI=1S/C11H17BrO2S/c1-8(14-2)3-4-9(13)7-11-10(12)5-6-15-11/h5-6,8-9,13H,3-4,7H2,1-2H3
InChIKeyHYKVIGUWGUCVFG-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105299566
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CID 65149568
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CID 65150014
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CID 64516501
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2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150001
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CID 115790916

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol (CID 105090894) is 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol is COC(C)CCC(O)Cc1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol?
The InChIKey is HYKVIGUWGUCVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO2S/c1-8(14-2)3-4-9(13)7-11-10(12)5-6-15-11/h5-6,8-9,13H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol?
1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol has a molecular weight of 293.23 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-ol is sourced from PubChem (CID 105090894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).