1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol

C13H12BrFO2S — CID 105084452

IUPAC1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2csc(Br)c2)cc1F
InChIInChI=1S/C13H12BrFO2S/c1-17-12-3-2-8(4-10(12)15)5-11(16)9-6-13(14)18-7-9/h2-4,6-7,11,16H,5H2,1H3
InChIKeyUAFSRMLCCDEVRL-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.93
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol

1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 105084452) has the molecular formula C13H12BrFO2S and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID105084452
Molecular FormulaC13H12BrFO2S
Molecular Weight331.21 g/mol
Exact Mass329.97
IUPAC Name1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2csc(Br)c2)cc1F
InChIInChI=1S/C13H12BrFO2S/c1-17-12-3-2-8(4-10(12)15)5-11(16)9-6-13(14)18-7-9/h2-4,6-7,11,16H,5H2,1H3
InChIKeyUAFSRMLCCDEVRL-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083533
1-(4-cyclopropylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 79973379
2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 79702145
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
2-(3-fluoro-4-methoxyphenyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105084474
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 65101112
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol (CID 105084452) is 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2csc(Br)c2)cc1F.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is UAFSRMLCCDEVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2S/c1-17-12-3-2-8(4-10(12)15)5-11(16)9-6-13(14)18-7-9/h2-4,6-7,11,16H,5H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol has a molecular weight of 331.21 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 105084452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).