2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol

C14H15BrO3S — CID 62606656

IUPAC2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2sccc2Br)cc1OC
InChIInChI=1S/C14H15BrO3S/c1-17-12-4-3-9(7-13(12)18-2)11(16)8-14-10(15)5-6-19-14/h3-7,11,16H,8H2,1-2H3
InChIKeyWIQRYGXJFAJGHN-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.80
Rot. Bonds5

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

2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol (PubChem CID 62606656) has the molecular formula C14H15BrO3S and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
PubChem CID62606656
Molecular FormulaC14H15BrO3S
Molecular Weight343.24 g/mol
Exact Mass341.99
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(C(O)Cc2sccc2Br)cc1OC
InChIInChI=1S/C14H15BrO3S/c1-17-12-4-3-9(7-13(12)18-2)11(16)8-14-10(15)5-6-19-14/h3-7,11,16H,8H2,1-2H3
InChIKeyWIQRYGXJFAJGHN-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790843
1-(3,4-dimethoxyphenyl)-2-thiophen-2-ylethanol
CID 55136258
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 114329930
2-(3-bromothiophen-2-yl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373642
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-(3-bromothiophen-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950413
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 60797865
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107104973
[2-(3-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethyl]hydrazine
CID 105204619

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol (CID 62606656) is 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol is COc1ccc(C(O)Cc2sccc2Br)cc1OC.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is WIQRYGXJFAJGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3S/c1-17-12-4-3-9(7-13(12)18-2)11(16)8-14-10(15)5-6-19-14/h3-7,11,16H,8H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol?
2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 343.24 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 62606656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).