1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol

C14H14Br2OS — CID 114329930

IUPAC1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
SMILESCc1cc(C(O)Cc2sccc2Br)cc(C)c1Br
InChIInChI=1S/C14H14Br2OS/c1-8-5-10(6-9(2)14(8)16)12(17)7-13-11(15)3-4-18-13/h3-6,12,17H,7H2,1-2H3
InChIKeyMNWDYCPBDUFUSY-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.17
Rot. Bonds3

About 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol

1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol (PubChem CID 114329930) has the molecular formula C14H14Br2OS and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
PubChem CID114329930
Molecular FormulaC14H14Br2OS
Molecular Weight390.14 g/mol
Exact Mass387.91
IUPAC Name1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol
SMILESCc1cc(C(O)Cc2sccc2Br)cc(C)c1Br
InChIInChI=1S/C14H14Br2OS/c1-8-5-10(6-9(2)14(8)16)12(17)7-13-11(15)3-4-18-13/h3-6,12,17H,7H2,1-2H3
InChIKeyMNWDYCPBDUFUSY-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790767
2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethanol
CID 65148432
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethanol
CID 62606491
1-(4-bromo-3-chlorophenyl)-2-(3-bromothiophen-2-yl)ethanol
CID 115790843
2-(3-bromothiophen-2-yl)-1-(3,4-dimethoxyphenyl)ethanol
CID 62606656
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
2-(3-bromothiophen-2-yl)-1-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 104769527
2-(3-bromothiophen-2-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79980714
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987
2-(3-bromothiophen-2-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107104973
[2-(3-bromothiophen-2-yl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105299572

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol (CID 114329930) is 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol is Cc1cc(C(O)Cc2sccc2Br)cc(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol?
The InChIKey is MNWDYCPBDUFUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2OS/c1-8-5-10(6-9(2)14(8)16)12(17)7-13-11(15)3-4-18-13/h3-6,12,17H,7H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol?
1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol has a molecular weight of 390.14 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 114329930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).