1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol

C10H15BrO2S — CID 105113091

IUPAC1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)c1cscc1Br
InChIInChI=1S/C10H15BrO2S/c1-10(2,3)13-4-9(12)7-5-14-6-8(7)11/h5-6,9,12H,4H2,1-3H3
InChIKeyVHVVSURNKPPMDR-UHFFFAOYSA-N
MW279.20 g/mol
LogP3.36
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol

1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 105113091) has the molecular formula C10H15BrO2S and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID105113091
Molecular FormulaC10H15BrO2S
Molecular Weight279.20 g/mol
Exact Mass278.00
IUPAC Name1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)c1cscc1Br
InChIInChI=1S/C10H15BrO2S/c1-10(2,3)13-4-9(12)7-5-14-6-8(7)11/h5-6,9,12H,4H2,1-3H3
InChIKeyVHVVSURNKPPMDR-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromothiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147502
1-(4-Bromothiophen-3-yl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103147791
1-(4-Bromothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103216967
2-Ethoxy-2-methyl-1-[4-(trifluoromethyl)thiophen-3-yl]propan-1-ol
CID 112745532
1-(4-Bromothiophen-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 113819769
Ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyethanimidate
CID 12962617
2-(5-Bromo-thiophen-3-yl)-butane-2,3-diol
CID 16126089
Ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyacetate
CID 68933504
4-Bromo-alpha-methyl-3-thiophenemethanol
CID 79590109
1-(4-Bromothiophen-3-yl)propan-1-ol
CID 79596145
2-Propoxy-1-thiophen-3-ylethanol
CID 65099824
2-Ethoxy-1-thiophen-3-ylethanol
CID 65668710

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 105113091) is 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol is CC(C)(C)OCC(O)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is VHVVSURNKPPMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2S/c1-10(2,3)13-4-9(12)7-5-14-6-8(7)11/h5-6,9,12H,4H2,1-3H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol?
1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 279.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 105113091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).