2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol

C13H11Br3O2S — CID 107969674

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C13H11Br3O2S/c1-18-8-2-3-10(14)7(4-8)5-11(17)9-6-12(15)19-13(9)16/h2-4,6,11,17H,5H2,1H3
InChIKeyLSWKUPAJZHAUSF-UHFFFAOYSA-N
MW471.01 g/mol
LogP5.32
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol

2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol (PubChem CID 107969674) has the molecular formula C13H11Br3O2S and a molecular weight of 471.01 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
PubChem CID107969674
Molecular FormulaC13H11Br3O2S
Molecular Weight471.01 g/mol
Exact Mass467.80
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2cc(Br)sc2Br)c1
InChIInChI=1S/C13H11Br3O2S/c1-18-8-2-3-10(14)7(4-8)5-11(17)9-6-12(15)19-13(9)16/h2-4,6,11,17H,5H2,1H3
InChIKeyLSWKUPAJZHAUSF-UHFFFAOYSA-N
XLogP5.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.01
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149
1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 106886367
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 65327412
2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 115801375
1-(5-amino-1H-pyrazol-4-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 65361933
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
CID 61081038
2-(2-bromo-5-methoxyphenyl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanol
CID 105100041
2,5-dibromo-3-[bromo-(2-bromo-4-methoxyphenyl)methyl]thiophene
CID 114021645
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 65327757

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol (CID 107969674) is 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol is COc1ccc(Br)c(CC(O)c2cc(Br)sc2Br)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol?
The InChIKey is LSWKUPAJZHAUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br3O2S/c1-18-8-2-3-10(14)7(4-8)5-11(17)9-6-12(15)19-13(9)16/h2-4,6,11,17H,5H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol has a molecular weight of 471.01 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol is sourced from PubChem (CID 107969674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).