1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol

C12H9Br2ClOS — CID 102830220

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H9Br2ClOS/c13-8-3-1-7(2-4-8)5-10(16)11-6-9(14)12(15)17-11/h1-4,6,10,16H,5H2
InChIKeyNWIPFOSWFDADOJ-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.20
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol

1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol (PubChem CID 102830220) has the molecular formula C12H9Br2ClOS and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
PubChem CID102830220
Molecular FormulaC12H9Br2ClOS
Molecular Weight396.53 g/mol
Exact Mass393.84
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H9Br2ClOS/c13-8-3-1-7(2-4-8)5-10(16)11-6-9(14)12(15)17-11/h1-4,6,10,16H,5H2
InChIKeyNWIPFOSWFDADOJ-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-tert-butylphenyl)ethanol
CID 102830173
3-bromo-5-[1-bromo-2-(4-bromophenyl)ethyl]-2-chlorothiophene
CID 102836965
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857075
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 102830009
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63518430
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-butan-2-ylpyrazol-3-yl)ethanol
CID 102830097

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol (CID 102830220) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol is OC(Cc1ccc(Br)cc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol?
The InChIKey is NWIPFOSWFDADOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClOS/c13-8-3-1-7(2-4-8)5-10(16)11-6-9(14)12(15)17-11/h1-4,6,10,16H,5H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol has a molecular weight of 396.53 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol is sourced from PubChem (CID 102830220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).