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

C8H10Br2OS — CID 61081815

IUPAC1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc(Br)sc1Br
InChIInChI=1S/C8H10Br2OS/c1-4(2)7(11)5-3-6(9)12-8(5)10/h3-4,7,11H,1-2H3
InChIKeyWTBUUFODBHAAJM-UHFFFAOYSA-N
MW314.04 g/mol
LogP3.96
Rot. Bonds2

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

1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol (PubChem CID 61081815) has the molecular formula C8H10Br2OS and a molecular weight of 314.04 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol
PubChem CID61081815
Molecular FormulaC8H10Br2OS
Molecular Weight314.04 g/mol
Exact Mass311.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)c1cc(Br)sc1Br
InChIInChI=1S/C8H10Br2OS/c1-4(2)7(11)5-3-6(9)12-8(5)10/h3-4,7,11H,1-2H3
InChIKeyWTBUUFODBHAAJM-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.04
LogP ≤ 53.96
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-ethylhexan-1-ol
CID 63427074
3-Methyl-1-(thiophen-3-yl)but-3-en-1-ol
CID 79179345
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
1-(5-Bromo-2-methylthiophen-3-yl)-3,3,3-trifluoropropan-1-ol
CID 65635533
1-(5-Bromo-2-methylthiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 65715017

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol (CID 61081815) is 1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol is CC(C)C(O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol?
The InChIKey is WTBUUFODBHAAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2OS/c1-4(2)7(11)5-3-6(9)12-8(5)10/h3-4,7,11H,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol?
1-(2,5-dibromothiophen-3-yl)-2-methylpropan-1-ol has a molecular weight of 314.04 g/mol, XLogP of 3.96, 2 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)-2-methylpropan-1-ol is sourced from PubChem (CID 61081815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).