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

C8H11BrOS — CID 105133536

IUPAC1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1csc(Br)c1
InChIInChI=1S/C8H11BrOS/c1-5(2)8(10)6-3-7(9)11-4-6/h3-5,8,10H,1-2H3
InChIKeyBZMFUXLWSJRCAG-UHFFFAOYSA-N
MW235.15 g/mol
LogP3.20
Rot. Bonds2

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

1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol (PubChem CID 105133536) has the molecular formula C8H11BrOS and a molecular weight of 235.15 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
PubChem CID105133536
Molecular FormulaC8H11BrOS
Molecular Weight235.15 g/mol
Exact Mass233.97
IUPAC Name1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1csc(Br)c1
InChIInChI=1S/C8H11BrOS/c1-5(2)8(10)6-3-7(9)11-4-6/h3-5,8,10H,1-2H3
InChIKeyBZMFUXLWSJRCAG-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-methylthiophen-3-yl)propan-1-ol
CID 65099385
(1R)-1-(5-bromothiophen-3-yl)ethanamine
CID 96861697
(1R)-1-(5-bromothiophen-3-yl)ethanamine;hydrochloride
CID 154577460
1-(5-bromothiophen-3-yl)-N,3-dimethylbutan-1-amine
CID 105083401
(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 114021555
1-(5-bromothiophen-3-yl)pent-3-yn-1-ol
CID 105082386
2-bromo-4-pentan-3-ylthiophene
CID 82390180
(5-bromo-4-methylthiophen-2-yl)-(5-bromothiophen-3-yl)methanol
CID 107964321
1-(5-bromothiophen-3-yl)-4-methoxybutan-1-ol
CID 105132747
(4-bromo-2,5-dimethylphenyl)-(5-bromothiophen-3-yl)methanol
CID 114021565
(5-bromothiophen-3-yl)-thiophen-2-ylmethanol
CID 105079878
(5-bromothiophen-3-yl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 107964365

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol (CID 105133536) is 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol is CC(C)C(O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol?
The InChIKey is BZMFUXLWSJRCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrOS/c1-5(2)8(10)6-3-7(9)11-4-6/h3-5,8,10H,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol?
1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol has a molecular weight of 235.15 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 105133536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).