2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol

C11H10BrClOS2 — CID 103407934

IUPAC2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
SMILESCc1csc(C(O)Cc2cc(Br)cs2)c1Cl
InChIInChI=1S/C11H10BrClOS2/c1-6-4-16-11(10(6)13)9(14)3-8-2-7(12)5-15-8/h2,4-5,9,14H,3H2,1H3
InChIKeyJCRJVAAQSPXRLM-UHFFFAOYSA-N
MW337.69 g/mol
LogP4.81
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol

2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol (PubChem CID 103407934) has the molecular formula C11H10BrClOS2 and a molecular weight of 337.69 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
PubChem CID103407934
Molecular FormulaC11H10BrClOS2
Molecular Weight337.69 g/mol
Exact Mass335.90
IUPAC Name2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
SMILESCc1csc(C(O)Cc2cc(Br)cs2)c1Cl
InChIInChI=1S/C11H10BrClOS2/c1-6-4-16-11(10(6)13)9(14)3-8-2-7(12)5-15-8/h2,4-5,9,14H,3H2,1H3
InChIKeyJCRJVAAQSPXRLM-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408228
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)-2-(furan-2-yl)ethanol
CID 103408220
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 103405659
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
2-(4-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769420
2-(4-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 62608007
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115790170
1-(3-chloro-4-methylthiophen-2-yl)-2-propan-2-yloxyethanol
CID 103408155

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol (CID 103407934) is 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol is Cc1csc(C(O)Cc2cc(Br)cs2)c1Cl.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The InChIKey is JCRJVAAQSPXRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClOS2/c1-6-4-16-11(10(6)13)9(14)3-8-2-7(12)5-15-8/h2,4-5,9,14H,3H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol has a molecular weight of 337.69 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 103407934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).