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

C14H15BrO2S — CID 65327412

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2sccc2C)c1
InChIInChI=1S/C14H15BrO2S/c1-9-5-6-18-14(9)13(16)8-10-7-11(17-2)3-4-12(10)15/h3-7,13,16H,8H2,1-2H3
InChIKeyFNIHMZMLWUMCRG-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.10
Rot. Bonds4

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

2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 65327412) has the molecular formula C14H15BrO2S and a molecular weight of 327.24 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID65327412
Molecular FormulaC14H15BrO2S
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCOc1ccc(Br)c(CC(O)c2sccc2C)c1
InChIInChI=1S/C14H15BrO2S/c1-9-5-6-18-14(9)13(16)8-10-7-11(17-2)3-4-12(10)15/h3-7,13,16H,8H2,1-2H3
InChIKeyFNIHMZMLWUMCRG-UHFFFAOYSA-N
XLogP4.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
2-(2-bromo-5-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)ethanol
CID 65327757
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130
2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115862188
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
1-(2-bromo-5-methoxyphenyl)-3-(2-methylphenyl)propan-2-ol
CID 65325394
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 106886367
2-(2-bromo-5-methoxyphenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105100016
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol (CID 65327412) is 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol is COc1ccc(Br)c(CC(O)c2sccc2C)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is FNIHMZMLWUMCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO2S/c1-9-5-6-18-14(9)13(16)8-10-7-11(17-2)3-4-12(10)15/h3-7,13,16H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol?
2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 327.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 65327412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).