1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol

C14H15BrOS — CID 79996774

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C14H15BrOS/c1-9-4-3-5-11(6-9)8-12(16)13-7-10(2)14(15)17-13/h3-7,12,16H,8H2,1-2H3
InChIKeySSRGCBVGDOJLCR-UHFFFAOYSA-N
MW311.24 g/mol
LogP4.40
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol

1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol (PubChem CID 79996774) has the molecular formula C14H15BrOS and a molecular weight of 311.24 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
PubChem CID79996774
Molecular FormulaC14H15BrOS
Molecular Weight311.24 g/mol
Exact Mass310.00
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C14H15BrOS/c1-9-4-3-5-11(6-9)8-12(16)13-7-10(2)14(15)17-13/h3-7,12,16H,8H2,1-2H3
InChIKeySSRGCBVGDOJLCR-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332
(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
CID 81488822
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
[1-(5-bromo-4-methylthiophen-2-yl)-2-phenylethyl]hydrazine
CID 105283168
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 80533300
2-bromo-5-[1-bromo-2-(3-methoxyphenyl)ethyl]-3-methylthiophene
CID 79996690
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824159
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050624

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol (CID 79996774) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol?
The InChIKey is SSRGCBVGDOJLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrOS/c1-9-4-3-5-11(6-9)8-12(16)13-7-10(2)14(15)17-13/h3-7,12,16H,8H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol?
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol has a molecular weight of 311.24 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 79996774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).