1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol

C7H8BrClO2S — CID 102830262

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
SMILESCOCC(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H8BrClO2S/c1-11-3-5(10)6-2-4(8)7(9)12-6/h2,5,10H,3H2,1H3
InChIKeyLBBSLOBANZTTMI-UHFFFAOYSA-N
MW271.56 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol

1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol (PubChem CID 102830262) has the molecular formula C7H8BrClO2S and a molecular weight of 271.56 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
PubChem CID102830262
Molecular FormulaC7H8BrClO2S
Molecular Weight271.56 g/mol
Exact Mass269.91
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
SMILESCOCC(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H8BrClO2S/c1-11-3-5(10)6-2-4(8)7(9)12-6/h2,5,10H,3H2,1H3
InChIKeyLBBSLOBANZTTMI-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 102829878
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
CID 102841044
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol
CID 102830296
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-(4,5-dibromothiophen-2-yl)-4-methoxybutan-1-ol
CID 115839601
methyl 3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoate
CID 102841350
4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-1-methoxybutan-2-ol
CID 103527593
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 102830009

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol (CID 102830262) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol is COCC(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol?
The InChIKey is LBBSLOBANZTTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClO2S/c1-11-3-5(10)6-2-4(8)7(9)12-6/h2,5,10H,3H2,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol?
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol has a molecular weight of 271.56 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol is sourced from PubChem (CID 102830262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).