4-(3-bromothiophen-2-yl)-3-methylphenol

C11H9BrOS — CID 83130486

IUPAC4-(3-bromothiophen-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1sccc1Br
InChIInChI=1S/C11H9BrOS/c1-7-6-8(13)2-3-9(7)11-10(12)4-5-14-11/h2-6,13H,1H3
InChIKeyVQMIDWJYZVLXDR-UHFFFAOYSA-N
MW269.16 g/mol
LogP4.19
Rot. Bonds1

About 4-(3-bromothiophen-2-yl)-3-methylphenol

4-(3-bromothiophen-2-yl)-3-methylphenol (PubChem CID 83130486) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is 4-(3-bromothiophen-2-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(3-bromothiophen-2-yl)-3-methylphenol
PubChem CID83130486
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name4-(3-bromothiophen-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1sccc1Br
InChIInChI=1S/C11H9BrOS/c1-7-6-8(13)2-3-9(7)11-10(12)4-5-14-11/h2-6,13H,1H3
InChIKeyVQMIDWJYZVLXDR-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-benzothiophen-7-yl)-3-methylphenol
CID 83131287
4-[5-(4-hydroxy-2-methylphenyl)selenophen-2-yl]-3-methylphenol
CID 141425246
4-[4-(4-hydroxy-2-methylphenyl)furan-3-yl]-3-methylphenol
CID 71625173
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
2-(4-fluoro-2-methylphenyl)-3-methylthiophene
CID 70359912
3-methyl-4-(1-methylpyridin-1-ium-4-yl)phenol
CID 11631250
5-(3-bromothiophen-2-yl)-3-methyl-1,2-oxazole
CID 169499017
4-(4-hydroxy-2-methylphenyl)-3-methylphenol;4-(4-hydroxy-3-methylphenyl)-2-methylphenol
CID 71293385
2-(4-hydroxy-2-methylphenyl)-4,6-dimethylphenol
CID 101299267
2-bromo-3-(4-hydroxy-2-methylphenyl)-4,5,6,6a-tetrahydro-3aH-pentalen-1-one
CID 25205458
3,4-dimethylphenol;hydrofluoride
CID 163210270
3-(3-bromothiophen-2-yl)-4-chlorobenzoic acid
CID 107989805

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromothiophen-2-yl)-3-methylphenol?
The IUPAC name of 4-(3-bromothiophen-2-yl)-3-methylphenol (CID 83130486) is 4-(3-bromothiophen-2-yl)-3-methylphenol.
What is the SMILES notation for 4-(3-bromothiophen-2-yl)-3-methylphenol?
The canonical SMILES for 4-(3-bromothiophen-2-yl)-3-methylphenol is Cc1cc(O)ccc1-c1sccc1Br.
What is the InChIKey of 4-(3-bromothiophen-2-yl)-3-methylphenol?
The InChIKey is VQMIDWJYZVLXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c1-7-6-8(13)2-3-9(7)11-10(12)4-5-14-11/h2-6,13H,1H3.
What are the key properties of 4-(3-bromothiophen-2-yl)-3-methylphenol?
4-(3-bromothiophen-2-yl)-3-methylphenol has a molecular weight of 269.16 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromothiophen-2-yl)-3-methylphenol is sourced from PubChem (CID 83130486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).