1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol

C14H11Br2ClO2S — CID 102829850

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cc(Br)cc2c1OCC2)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H11Br2ClO2S/c15-9-3-7-1-2-19-13(7)8(4-9)5-11(18)12-6-10(16)14(17)20-12/h3-4,6,11,18H,1-2,5H2
InChIKeyGHLMTODYEUYVPG-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.14
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol

1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol (PubChem CID 102829850) has the molecular formula C14H11Br2ClO2S and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
PubChem CID102829850
Molecular FormulaC14H11Br2ClO2S
Molecular Weight438.57 g/mol
Exact Mass435.85
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
SMILESOC(Cc1cc(Br)cc2c1OCC2)c1cc(Br)c(Cl)s1
InChIInChI=1S/C14H11Br2ClO2S/c15-9-3-7-1-2-19-13(7)8(4-9)5-11(18)12-6-10(16)14(17)20-12/h3-4,6,11,18H,1-2,5H2
InChIKeyGHLMTODYEUYVPG-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol with MolForge

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dibromophenyl)ethanol
CID 115830926
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408228
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115830952
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502934
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115830920
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-fluorophenyl)ethanol
CID 107954109
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115830873
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol (CID 102829850) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol is OC(Cc1cc(Br)cc2c1OCC2)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
The InChIKey is GHLMTODYEUYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClO2S/c15-9-3-7-1-2-19-13(7)8(4-9)5-11(18)12-6-10(16)14(17)20-12/h3-4,6,11,18H,1-2,5H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol has a molecular weight of 438.57 g/mol, XLogP of 5.14, 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-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol is sourced from PubChem (CID 102829850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).