1-(2,5-dibromothiophen-3-yl)butan-1-ol

C8H10Br2OS — CID 61080667

IUPAC1-(2,5-dibromothiophen-3-yl)butan-1-ol
SMILESCCCC(O)c1cc(Br)sc1Br
InChIInChI=1S/C8H10Br2OS/c1-2-3-6(11)5-4-7(9)12-8(5)10/h4,6,11H,2-3H2,1H3
InChIKeySQVIDCZTOVZZGB-UHFFFAOYSA-N
MW314.04 g/mol
LogP4.11
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)butan-1-ol

1-(2,5-dibromothiophen-3-yl)butan-1-ol (PubChem CID 61080667) has the molecular formula C8H10Br2OS and a molecular weight of 314.04 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)butan-1-ol
PubChem CID61080667
Molecular FormulaC8H10Br2OS
Molecular Weight314.04 g/mol
Exact Mass311.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)butan-1-ol
SMILESCCCC(O)c1cc(Br)sc1Br
InChIInChI=1S/C8H10Br2OS/c1-2-3-6(11)5-4-7(9)12-8(5)10/h4,6,11H,2-3H2,1H3
InChIKeySQVIDCZTOVZZGB-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.04
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromo-2-methylthiophen-3-yl)methanol
CID 65634469
(5-Bromo-4-methylthiophen-2-yl)methanol
CID 79997697
1-(5-Bromothiophen-3-yl)-2,2,2-trifluoroethanol
CID 67325125
1-[5-Bromo-4-(trifluoromethyl)thiophen-2-yl]ethanol
CID 174674366
1-(5-Bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 13791820
1-(5-Bromothiophen-2-yl)-2-ethylhexan-1-ol
CID 63427074
3-Methyl-1-(thiophen-3-yl)but-3-en-1-ol
CID 79179345
1-(4,5-Dibromothiophen-2-yl)butan-1-ol
CID 80535426
1-(2,5-Dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61080668
1-(2,5-Dibromothiophen-3-yl)-2,2,2-trifluoroethanol
CID 61081618
1-(2,5-Dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-ol
CID 61082423
1-(5-Bromo-2-methylthiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 65633242

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)butan-1-ol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)butan-1-ol (CID 61080667) is 1-(2,5-dibromothiophen-3-yl)butan-1-ol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)butan-1-ol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)butan-1-ol is CCCC(O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)butan-1-ol?
The InChIKey is SQVIDCZTOVZZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2OS/c1-2-3-6(11)5-4-7(9)12-8(5)10/h4,6,11H,2-3H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)butan-1-ol?
1-(2,5-dibromothiophen-3-yl)butan-1-ol has a molecular weight of 314.04 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)butan-1-ol is sourced from PubChem (CID 61080667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).