2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol

C14H15BrOS — CID 65148432

IUPAC2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2sccc2Br)c(C)c1
InChIInChI=1S/C14H15BrOS/c1-9-3-4-11(10(2)7-9)13(16)8-14-12(15)5-6-17-14/h3-7,13,16H,8H2,1-2H3
InChIKeyKBAHOJOHICLDDF-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.40
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol

2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol (PubChem CID 65148432) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
PubChem CID65148432
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2sccc2Br)c(C)c1
InChIInChI=1S/C14H15BrOS/c1-9-3-4-11(10(2)7-9)13(16)8-14-12(15)5-6-17-14/h3-7,13,16H,8H2,1-2H3
InChIKeyKBAHOJOHICLDDF-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790767
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930
N-[2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 115849158
2-(3-bromothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 62944185
[2-(3-bromothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)ethyl]hydrazine
CID 105299497
1-[2-[(3-bromothiophen-2-yl)methoxy]-4-methylphenyl]ethanol
CID 63651959
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethylphenyl)ethanol
CID 65148185
2-(3-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanol
CID 79235146
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790843
2-(3-bromothiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115790919

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol (CID 65148432) is 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(O)Cc2sccc2Br)c(C)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is KBAHOJOHICLDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-9-3-4-11(10(2)7-9)13(16)8-14-12(15)5-6-17-14/h3-7,13,16H,8H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol?
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 311.24 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 65148432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).