2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol

C15H17BrO2S — CID 65146016

IUPAC2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C15H17BrO2S/c1-2-7-18-13-5-3-11(4-6-13)15(17)9-14-8-12(16)10-19-14/h3-6,8,10,15,17H,2,7,9H2,1H3
InChIKeyARGNLKZEWLHGRT-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol

2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol (PubChem CID 65146016) has the molecular formula C15H17BrO2S and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol
PubChem CID65146016
Molecular FormulaC15H17BrO2S
Molecular Weight341.27 g/mol
Exact Mass340.01
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)Cc2cc(Br)cs2)cc1
InChIInChI=1S/C15H17BrO2S/c1-2-7-18-13-5-3-11(4-6-13)15(17)9-14-8-12(16)10-19-14/h3-6,8,10,15,17H,2,7,9H2,1H3
InChIKeyARGNLKZEWLHGRT-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)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

2-(4-bromothiophen-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 65148260
2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 65146068
[2-(4-bromothiophen-2-yl)-1-(3-propoxyphenyl)ethyl]hydrazine
CID 105299378
2-(4-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 62608007
2-(2-methyl-1,3-thiazol-4-yl)-1-(4-propoxyphenyl)ethanol
CID 62799154
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
1-(3-bromo-4-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 65148395
2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
CID 66159989
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
2-(4-bromothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 65151161
(1R)-1-[4-[(4-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 78937230
N-[(4-bromothiophen-2-yl)methyl]-2-(4-butan-2-ylphenoxy)ethanamine
CID 107668574

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol (CID 65146016) is 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)Cc2cc(Br)cs2)cc1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol?
The InChIKey is ARGNLKZEWLHGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2S/c1-2-7-18-13-5-3-11(4-6-13)15(17)9-14-8-12(16)10-19-14/h3-6,8,10,15,17H,2,7,9H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol has a molecular weight of 341.27 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 65146016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).