1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol

C15H17BrOS — CID 105084146

IUPAC1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2csc(Br)c2)c(C)c1
InChIInChI=1S/C15H17BrOS/c1-9-4-10(2)13(11(3)5-9)7-14(17)12-6-15(16)18-8-12/h4-6,8,14,17H,7H2,1-3H3
InChIKeyAAXOSUDWBRFEMH-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.71
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol

1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 105084146) has the molecular formula C15H17BrOS and a molecular weight of 325.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID105084146
Molecular FormulaC15H17BrOS
Molecular Weight325.27 g/mol
Exact Mass324.02
IUPAC Name1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(CC(O)c2csc(Br)c2)c(C)c1
InChIInChI=1S/C15H17BrOS/c1-9-4-10(2)13(11(3)5-9)7-14(17)12-6-15(16)18-8-12/h4-6,8,14,17H,7H2,1-3H3
InChIKeyAAXOSUDWBRFEMH-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120871
1-(3,5-dibromophenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 107978212
1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781909
(5-bromothiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 114021555
1-(5-bromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083533
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
1-(3-chloro-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781994
1-(5-bromothiophen-3-yl)-4-methoxybutan-1-ol
CID 105132747
2-(5-bromo-2-methoxyphenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105081985
2-(3,5-dimethylphenyl)-1-(5-methylthiophen-3-yl)ethanol
CID 65099998
1-(5-bromothiophen-3-yl)pent-3-yn-1-ol
CID 105082386
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol (CID 105084146) is 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(CC(O)c2csc(Br)c2)c(C)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is AAXOSUDWBRFEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrOS/c1-9-4-10(2)13(11(3)5-9)7-14(17)12-6-15(16)18-8-12/h4-6,8,14,17H,7H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 325.27 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 105084146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).