1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol

C12H12BrNO2S — CID 114684136

IUPAC1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(C)(O)c1nc(Br)cs1
InChIInChI=1S/C12H12BrNO2S/c1-12(15,11-14-10(13)7-17-11)8-5-3-4-6-9(8)16-2/h3-7,15H,1-2H3
InChIKeyYZYPDNJMLWARMM-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.17
Rot. Bonds3

About 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol

1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol (PubChem CID 114684136) has the molecular formula C12H12BrNO2S and a molecular weight of 314.20 g/mol. Its IUPAC name is 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol
PubChem CID114684136
Molecular FormulaC12H12BrNO2S
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol
SMILESCOc1ccccc1C(C)(O)c1nc(Br)cs1
InChIInChI=1S/C12H12BrNO2S/c1-12(15,11-14-10(13)7-17-11)8-5-3-4-6-9(8)16-2/h3-7,15H,1-2H3
InChIKeyYZYPDNJMLWARMM-UHFFFAOYSA-N
XLogP3.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
1-(2-methoxyphenyl)-1-thiophen-3-ylethanol
CID 65099719
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
CID 107431992
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 60793238
1-(5-bromo-2-fluorophenyl)-1-(2-methoxyphenyl)ethanol
CID 79743336
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
(1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol
CID 11832634
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
1-(2-amino-1,3-thiazol-5-yl)-1-(2-methoxyphenyl)ethanol
CID 113370181
1-(2-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514450

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol (CID 114684136) is 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol is COc1ccccc1C(C)(O)c1nc(Br)cs1.
What is the InChIKey of 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol?
The InChIKey is YZYPDNJMLWARMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S/c1-12(15,11-14-10(13)7-17-11)8-5-3-4-6-9(8)16-2/h3-7,15H,1-2H3.
What are the key properties of 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol?
1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol has a molecular weight of 314.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol is sourced from PubChem (CID 114684136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).