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

C9H12Br2OS — CID 61080480

IUPAC1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2OS/c1-3-5(2)8(12)6-4-7(10)13-9(6)11/h4-5,8,12H,3H2,1-2H3
InChIKeyXTLNLCSUPFRNIC-UHFFFAOYSA-N
MW328.07 g/mol
LogP4.35
Rot. Bonds3

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

1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol (PubChem CID 61080480) has the molecular formula C9H12Br2OS and a molecular weight of 328.07 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol
PubChem CID61080480
Molecular FormulaC9H12Br2OS
Molecular Weight328.07 g/mol
Exact Mass325.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2OS/c1-3-5(2)8(12)6-4-7(10)13-9(6)11/h4-5,8,12H,3H2,1-2H3
InChIKeyXTLNLCSUPFRNIC-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Bromo-2-methylthiophen-3-yl)methanol
CID 65634469
1-(5-Bromothiophen-3-yl)-2,2,2-trifluoroethanol
CID 67325125
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-(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
1-(2,5-Dibromothiophen-3-yl)-4,4,4-trifluorobutan-1-ol
CID 65715627

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol (CID 61080480) is 1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol?
The InChIKey is XTLNLCSUPFRNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2OS/c1-3-5(2)8(12)6-4-7(10)13-9(6)11/h4-5,8,12H,3H2,1-2H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol?
1-(2,5-dibromothiophen-3-yl)-2-methylbutan-1-ol has a molecular weight of 328.07 g/mol, XLogP of 4.35, 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)-2-methylbutan-1-ol is sourced from PubChem (CID 61080480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).