1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol

C13H12Br2OS — CID 115790767

IUPAC1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
SMILESCc1ccc(Br)cc1C(O)Cc1sccc1Br
InChIInChI=1S/C13H12Br2OS/c1-8-2-3-9(14)6-10(8)12(16)7-13-11(15)4-5-17-13/h2-6,12,16H,7H2,1H3
InChIKeyRIRZRQNEEFINOR-UHFFFAOYSA-N
MW376.11 g/mol
LogP4.86
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol

1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol (PubChem CID 115790767) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
PubChem CID115790767
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
SMILESCc1ccc(Br)cc1C(O)Cc1sccc1Br
InChIInChI=1S/C13H12Br2OS/c1-8-2-3-9(14)6-10(8)12(16)7-13-11(15)4-5-17-13/h2-6,12,16H,7H2,1H3
InChIKeyRIRZRQNEEFINOR-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79235146
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
2-(3-bromo-4-methoxyphenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115779364
2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115790919
2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 62944185
3-bromo-2-[(5-bromo-2-methylphenyl)-chloromethyl]thiophene
CID 80535928
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527
1-(5-bromo-2-methylphenyl)-3-ethylpentan-1-ol
CID 115829693
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol (CID 115790767) is 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol is Cc1ccc(Br)cc1C(O)Cc1sccc1Br.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol?
The InChIKey is RIRZRQNEEFINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-8-2-3-9(14)6-10(8)12(16)7-13-11(15)4-5-17-13/h2-6,12,16H,7H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol?
1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol has a molecular weight of 376.11 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 115790767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).