1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol

C9H13BrOS — CID 164653946

IUPAC1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ccsc1Br
InChIInChI=1S/C9H13BrOS/c1-3-6(2)8(11)7-4-5-12-9(7)10/h4-6,8,11H,3H2,1-2H3
InChIKeyCHZYYTYGSIVZCQ-UHFFFAOYSA-N
MW249.17 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol

1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol (PubChem CID 164653946) has the molecular formula C9H13BrOS and a molecular weight of 249.17 g/mol. Its IUPAC name is 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol
PubChem CID164653946
Molecular FormulaC9H13BrOS
Molecular Weight249.17 g/mol
Exact Mass247.99
IUPAC Name1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ccsc1Br
InChIInChI=1S/C9H13BrOS/c1-3-6(2)8(11)7-4-5-12-9(7)10/h4-6,8,11H,3H2,1-2H3
InChIKeyCHZYYTYGSIVZCQ-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2-bromo-3-hexadecan-7-ylthiophene
CID 164890345
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 63718158
1-(2,3-dimethylphenyl)-2-methylbutan-1-ol
CID 63719064
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
2-methyl-1-(1,2-thiazol-3-yl)butan-1-ol
CID 131020007
1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
CID 106693915
3-butan-2-ylthiophen-2-ol
CID 155122779
sodium (2-bromothiophen-3-yl)-hydroxymethanesulfonate
CID 102269279
3-[(4S,5S)-3-hydroxy-5-methylheptan-4-yl]thiophene-2-sulfonamide
CID 140561210

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol (CID 164653946) is 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1ccsc1Br.
What is the InChIKey of 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol?
The InChIKey is CHZYYTYGSIVZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS/c1-3-6(2)8(11)7-4-5-12-9(7)10/h4-6,8,11H,3H2,1-2H3.
What are the key properties of 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol?
1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol has a molecular weight of 249.17 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromothiophen-3-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 164653946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).