1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol

C9H13BrOS — CID 79596578

IUPAC1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cscc1Br
InChIInChI=1S/C9H13BrOS/c1-9(2,3)8(11)6-4-12-5-7(6)10/h4-5,8,11H,1-3H3
InChIKeyZIYRHFGQRGAEAY-UHFFFAOYSA-N
MW249.17 g/mol
LogP3.59
Rot. Bonds1

About 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol

1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol (PubChem CID 79596578) has the molecular formula C9H13BrOS and a molecular weight of 249.17 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol
PubChem CID79596578
Molecular FormulaC9H13BrOS
Molecular Weight249.17 g/mol
Exact Mass247.99
IUPAC Name1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cscc1Br
InChIInChI=1S/C9H13BrOS/c1-9(2,3)8(11)6-4-12-5-7(6)10/h4-5,8,11H,1-3H3
InChIKeyZIYRHFGQRGAEAY-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.17
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 79594978
1-(4-bromothiophen-3-yl)-2-ethylbutane-1,2-diol
CID 103449437
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 79595083
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79595416
1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105113091
1-(4-bromothiophen-3-yl)-2-propylpentan-1-ol
CID 115820137
(4-bromothiophen-3-yl)-cyclopropylmethanol
CID 79596364
1-(4-bromothiophen-3-yl)dodecan-1-ol
CID 115819993
1-(4-bromothiophen-3-yl)-2-phenylethane-1,2-diol
CID 103459511
1-(4-bromothiophen-3-yl)-2-methyl-2-methylsulfonylpropan-1-amine
CID 105010694
1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
CID 79595189
1-(2-bromo-4,5-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 55134769

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol (CID 79596578) is 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is ZIYRHFGQRGAEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS/c1-9(2,3)8(11)6-4-12-5-7(6)10/h4-5,8,11H,1-3H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol?
1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 249.17 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79596578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).