1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol

C9H13BrOS — CID 61081527

IUPAC1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ccc(Br)s1
InChIInChI=1S/C9H13BrOS/c1-3-6(2)9(11)7-4-5-8(10)12-7/h4-6,9,11H,3H2,1-2H3
InChIKeyCTWXAIRLGYAWRM-UHFFFAOYSA-N
MW249.17 g/mol
LogP3.59
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol

1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol (PubChem CID 61081527) has the molecular formula C9H13BrOS and a molecular weight of 249.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
PubChem CID61081527
Molecular FormulaC9H13BrOS
Molecular Weight249.17 g/mol
Exact Mass247.99
IUPAC Name1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1ccc(Br)s1
InChIInChI=1S/C9H13BrOS/c1-3-6(2)9(11)7-4-5-8(10)12-7/h4-6,9,11H,3H2,1-2H3
InChIKeyCTWXAIRLGYAWRM-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-ethylbutan-1-ol
CID 61081920
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
2-[(5-bromothiophen-2-yl)-hydroxymethyl]butanoic acid
CID 62398841
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
6-(5-bromothiophen-2-yl)heptane-3,4-diol
CID 83935051
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
S-[3-(5-bromothiophen-2-yl)-2,3-dihydroxypropyl] ethanethioate
CID 170823290
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol (CID 61081527) is 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol?
The InChIKey is CTWXAIRLGYAWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrOS/c1-3-6(2)9(11)7-4-5-8(10)12-7/h4-6,9,11H,3H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol?
1-(5-bromothiophen-2-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-(5-bromothiophen-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 61081527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).