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

C11H10BrClOS2 — CID 102829535

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESCc1sc(C(O)Cc2ccc(Cl)s2)cc1Br
InChIInChI=1S/C11H10BrClOS2/c1-6-8(12)5-10(15-6)9(14)4-7-2-3-11(13)16-7/h2-3,5,9,14H,4H2,1H3
InChIKeyWXBKNVNEZZURPI-UHFFFAOYSA-N
MW337.69 g/mol
LogP4.81
Rot. Bonds3

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

1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol (PubChem CID 102829535) has the molecular formula C11H10BrClOS2 and a molecular weight of 337.69 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
PubChem CID102829535
Molecular FormulaC11H10BrClOS2
Molecular Weight337.69 g/mol
Exact Mass335.90
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
SMILESCc1sc(C(O)Cc2ccc(Cl)s2)cc1Br
InChIInChI=1S/C11H10BrClOS2/c1-6-8(12)5-10(15-6)9(14)4-7-2-3-11(13)16-7/h2-3,5,9,14H,4H2,1H3
InChIKeyWXBKNVNEZZURPI-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

1-(4-bromo-5-methylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 102829639
1-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
1-(4-bromo-5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102829532
1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
CID 102834626
1-(4-bromo-5-methylthiophen-2-yl)pentan-1-ol
CID 102829531
2-(5-chlorothiophen-2-yl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106790809
1-(5-chloro-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 115786093
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 62899782
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046515
1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537661

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol (CID 102829535) is 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol is Cc1sc(C(O)Cc2ccc(Cl)s2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is WXBKNVNEZZURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClOS2/c1-6-8(12)5-10(15-6)9(14)4-7-2-3-11(13)16-7/h2-3,5,9,14H,4H2,1H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol?
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-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 1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 102829535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).