2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol

C13H12BrFOS — CID 115790170

IUPAC2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)Cc2cc(Br)cs2)c1
InChIInChI=1S/C13H12BrFOS/c1-8-2-3-12(15)11(4-8)13(16)6-10-5-9(14)7-17-10/h2-5,7,13,16H,6H2,1H3
InChIKeyCHYYBGSBYKNFMD-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.23
Rot. Bonds3

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

2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol (PubChem CID 115790170) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
PubChem CID115790170
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(O)Cc2cc(Br)cs2)c1
InChIInChI=1S/C13H12BrFOS/c1-8-2-3-12(15)11(4-8)13(16)6-10-5-9(14)7-17-10/h2-5,7,13,16H,6H2,1H3
InChIKeyCHYYBGSBYKNFMD-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115847633
2-(4-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 62608007
1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 115790217
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
2-(4-bromothiophen-2-yl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712259
1-(2-fluoro-5-methylphenyl)-2-pyridin-4-ylethanol
CID 62791168
1-(5-bromo-2-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanol
CID 65147995
1-(2-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 62789444
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115814385
1-(2-fluoro-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 115830443

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol (CID 115790170) is 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol is Cc1ccc(F)c(C(O)Cc2cc(Br)cs2)c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
The InChIKey is CHYYBGSBYKNFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c1-8-2-3-12(15)11(4-8)13(16)6-10-5-9(14)7-17-10/h2-5,7,13,16H,6H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol has a molecular weight of 315.21 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanol is sourced from PubChem (CID 115790170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).