1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol

C13H12BrFOS — CID 79996332

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
SMILESCc1cc(C(O)Cc2cccc(F)c2)sc1Br
InChIInChI=1S/C13H12BrFOS/c1-8-5-12(17-13(8)14)11(16)7-9-3-2-4-10(15)6-9/h2-6,11,16H,7H2,1H3
InChIKeyHCPJEHQBCYGSND-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.23
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol

1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol (PubChem CID 79996332) has the molecular formula C13H12BrFOS and a molecular weight of 315.21 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
PubChem CID79996332
Molecular FormulaC13H12BrFOS
Molecular Weight315.21 g/mol
Exact Mass313.98
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
SMILESCc1cc(C(O)Cc2cccc(F)c2)sc1Br
InChIInChI=1S/C13H12BrFOS/c1-8-5-12(17-13(8)14)11(16)7-9-3-2-4-10(15)6-9/h2-6,11,16H,7H2,1H3
InChIKeyHCPJEHQBCYGSND-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

1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
CID 79996774
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 80532302
2-(3-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 61101540
2-(4-bromo-2-fluorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)ethanol
CID 115788463
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 80531073
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822500
2-(3-bromophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 55135398
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol (CID 79996332) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol is Cc1cc(C(O)Cc2cccc(F)c2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol?
The InChIKey is HCPJEHQBCYGSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFOS/c1-8-5-12(17-13(8)14)11(16)7-9-3-2-4-10(15)6-9/h2-6,11,16H,7H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol?
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)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 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 79996332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).