2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol

C14H15BrO3S — CID 115790186

IUPAC2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1cc(Br)cs1
InChIInChI=1S/C14H15BrO3S/c1-17-12-4-3-5-13(18-2)14(12)11(16)7-10-6-9(15)8-19-10/h3-6,8,11,16H,7H2,1-2H3
InChIKeyFMRYBKNWQHIGLX-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol

2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol (PubChem CID 115790186) has the molecular formula C14H15BrO3S and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
PubChem CID115790186
Molecular FormulaC14H15BrO3S
Molecular Weight343.24 g/mol
Exact Mass341.99
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1cc(Br)cs1
InChIInChI=1S/C14H15BrO3S/c1-17-12-4-3-5-13(18-2)14(12)11(16)7-10-6-9(15)8-19-10/h3-6,8,11,16H,7H2,1-2H3
InChIKeyFMRYBKNWQHIGLX-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

2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
[2-(4-bromothiophen-2-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252540
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
2-(4-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanol
CID 62608419
1-(2-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanol
CID 115790217
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
2-(4-bromothiophen-2-yl)-1-(2,3-dimethoxyphenyl)-N-ethylethanamine
CID 105139259
1-(4-bromothiophen-2-yl)-3-methoxypropan-2-ol
CID 62606170
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62608024
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
CID 62620804
3-(4-bromothiophen-2-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756868

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol (CID 115790186) is 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol is COc1cccc(OC)c1C(O)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol?
The InChIKey is FMRYBKNWQHIGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3S/c1-17-12-4-3-5-13(18-2)14(12)11(16)7-10-6-9(15)8-19-10/h3-6,8,11,16H,7H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol?
2-(4-bromothiophen-2-yl)-1-(2,6-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-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 115790186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).