1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol

C13H12Br2OS — CID 61081038

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1cc(Br)sc1Br
InChIInChI=1S/C13H12Br2OS/c1-8-4-2-3-5-9(8)6-11(16)10-7-12(14)17-13(10)15/h2-5,7,11,16H,6H2,1H3
InChIKeyHWCGCVCQOLUWBT-UHFFFAOYSA-N
MW376.11 g/mol
LogP4.86
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol

1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol (PubChem CID 61081038) has the molecular formula C13H12Br2OS and a molecular weight of 376.11 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
PubChem CID61081038
Molecular FormulaC13H12Br2OS
Molecular Weight376.11 g/mol
Exact Mass373.90
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol
SMILESCc1ccccc1CC(O)c1cc(Br)sc1Br
InChIInChI=1S/C13H12Br2OS/c1-8-4-2-3-5-9(8)6-11(16)10-7-12(14)17-13(10)15/h2-5,7,11,16H,6H2,1H3
InChIKeyHWCGCVCQOLUWBT-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(2-methylphenyl)ethanol
CID 60798292
1-(5-bromo-2-iodophenyl)-2-(2-methylphenyl)ethanol
CID 114033074
2-(5-chloro-2-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 114022310
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromothiophen-3-yl)ethanol
CID 107969674
[1-(2,5-dibromothiophen-3-yl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 107970529
1-(2,5-dibromothiophen-3-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 114021943
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dichlorophenyl)ethanol
CID 63426686
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanone
CID 43344934
2,5-dibromo-3-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965769
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441
2-(2-methylphenyl)-1-pyridin-4-ylethanol
CID 60797615
1-(7-bromo-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078052

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol (CID 61081038) is 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol is Cc1ccccc1CC(O)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol?
The InChIKey is HWCGCVCQOLUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2OS/c1-8-4-2-3-5-9(8)6-11(16)10-7-12(14)17-13(10)15/h2-5,7,11,16H,6H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol?
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol has a molecular weight of 376.11 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)ethanol is sourced from PubChem (CID 61081038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).