2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol

C12H13BrO2S — CID 65149874

IUPAC2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2ccc(Br)s2)o1
InChIInChI=1S/C12H13BrO2S/c1-2-8-3-5-11(15-8)10(14)7-9-4-6-12(13)16-9/h3-6,10,14H,2,7H2,1H3
InChIKeyHUWOCPKUWJUIFD-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.94
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol

2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol (PubChem CID 65149874) has the molecular formula C12H13BrO2S and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol
PubChem CID65149874
Molecular FormulaC12H13BrO2S
Molecular Weight301.21 g/mol
Exact Mass299.98
IUPAC Name2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol
SMILESCCc1ccc(C(O)Cc2ccc(Br)s2)o1
InChIInChI=1S/C12H13BrO2S/c1-2-8-3-5-11(15-8)10(14)7-9-4-6-12(13)16-9/h3-6,10,14H,2,7H2,1H3
InChIKeyHUWOCPKUWJUIFD-UHFFFAOYSA-N
XLogP3.94
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(5-ethylfuran-2-yl)methanamine
CID 62347257
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CID 62344791
2-(5-bromo-3-pyridinyl)-1-(5-ethylfuran-2-yl)ethanol
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CID 63718703
1-(5-bromothiophen-2-yl)-4-ethylhexane-2,3-diol
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2-(5-bromothiophen-2-yl)-1-[4-(difluoromethyl)phenyl]ethanol
CID 115524905
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
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1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol
CID 115816917
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CID 65150077

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol (CID 65149874) is 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol is CCc1ccc(C(O)Cc2ccc(Br)s2)o1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol?
The InChIKey is HUWOCPKUWJUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO2S/c1-2-8-3-5-11(15-8)10(14)7-9-4-6-12(13)16-9/h3-6,10,14H,2,7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol?
2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol has a molecular weight of 301.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(5-ethylfuran-2-yl)ethanol is sourced from PubChem (CID 65149874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).