1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol

C14H15BrOS — CID 115820172

IUPAC1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cscc2Br)c1
InChIInChI=1S/C14H15BrOS/c1-9-3-4-10(2)11(5-9)6-14(16)12-7-17-8-13(12)15/h3-5,7-8,14,16H,6H2,1-2H3
InChIKeyWFTIRJFHGGDZCW-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.40
Rot. Bonds3

About 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol

1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 115820172) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
PubChem CID115820172
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cscc2Br)c1
InChIInChI=1S/C14H15BrOS/c1-9-3-4-10(2)11(5-9)6-14(16)12-7-17-8-13(12)15/h3-5,7-8,14,16H,6H2,1-2H3
InChIKeyWFTIRJFHGGDZCW-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

Analyze 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 105010523
1-(4-bromothiophen-3-yl)-2-(4-methylphenyl)ethanol
CID 79595189
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 63427104
2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
CID 63411264
1-(4-bromothiophen-3-yl)-2-phenylethanol
CID 79596144
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 115784134
1-(3-bromo-4-ethoxyphenyl)-2-(2,5-dimethylphenyl)ethanol
CID 104661074
2-(2,5-dimethylphenyl)-1-thiophen-2-ylethanol
CID 61481652
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 61482044

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol (CID 115820172) is 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(CC(O)c2cscc2Br)c1.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is WFTIRJFHGGDZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-9-3-4-10(2)11(5-9)6-14(16)12-7-17-8-13(12)15/h3-5,7-8,14,16H,6H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol?
1-(4-bromothiophen-3-yl)-2-(2,5-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 1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 115820172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).