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

C13H12Br2O2S — CID 105081985

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1csc(Br)c1
InChIInChI=1S/C13H12Br2O2S/c1-17-12-3-2-10(14)4-8(12)5-11(16)9-6-13(15)18-7-9/h2-4,6-7,11,16H,5H2,1H3
InChIKeyKLZCUYLBLAHLHM-UHFFFAOYSA-N
MW392.11 g/mol
LogP4.56
Rot. Bonds4

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

2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol (PubChem CID 105081985) has the molecular formula C13H12Br2O2S and a molecular weight of 392.11 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
PubChem CID105081985
Molecular FormulaC13H12Br2O2S
Molecular Weight392.11 g/mol
Exact Mass389.89
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
SMILESCOc1ccc(Br)cc1CC(O)c1csc(Br)c1
InChIInChI=1S/C13H12Br2O2S/c1-17-12-3-2-10(14)4-8(12)5-11(16)9-6-13(15)18-7-9/h2-4,6-7,11,16H,5H2,1H3
InChIKeyKLZCUYLBLAHLHM-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.11
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)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-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083533
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084452
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105081993
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583
2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893813
2-bromo-4-[bromo-(5-bromo-2-methoxyphenyl)methyl]thiophene
CID 107964586
1-(2-aminophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 64832581
1-(5-bromo-2-methoxyphenyl)-4-methylpentane-2,3-diol
CID 103456639

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol (CID 105081985) is 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol is COc1ccc(Br)cc1CC(O)c1csc(Br)c1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol?
The InChIKey is KLZCUYLBLAHLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2O2S/c1-17-12-3-2-10(14)4-8(12)5-11(16)9-6-13(15)18-7-9/h2-4,6-7,11,16H,5H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol?
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol has a molecular weight of 392.11 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol is sourced from PubChem (CID 105081985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).