1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone

C13H11BrO3S — CID 63654295

IUPAC1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1CO)c1sccc1Br
InChIInChI=1S/C13H11BrO3S/c14-10-5-6-18-13(10)11(16)8-17-12-4-2-1-3-9(12)7-15/h1-6,15H,7-8H2
InChIKeyFFYNDQJBEVRXLR-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.26
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone

1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone (PubChem CID 63654295) has the molecular formula C13H11BrO3S and a molecular weight of 327.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
PubChem CID63654295
Molecular FormulaC13H11BrO3S
Molecular Weight327.20 g/mol
Exact Mass325.96
IUPAC Name1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1CO)c1sccc1Br
InChIInChI=1S/C13H11BrO3S/c14-10-5-6-18-13(10)11(16)8-17-12-4-2-1-3-9(12)7-15/h1-6,15H,7-8H2
InChIKeyFFYNDQJBEVRXLR-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromothiophen-2-yl)-2-(2-tert-butylphenoxy)ethanone
CID 43799738
2-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]benzonitrile
CID 62030999
1-(3-bromothiophen-2-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
CID 43799801
1-(3-bromothiophen-2-yl)-2-(3-methylphenoxy)ethanone
CID 43799889
2-(4-bromo-2-propan-2-ylphenoxy)-1-(3-bromothiophen-2-yl)ethanone
CID 115402471
2-(2-bromo-5-nitrophenoxy)-1-(3-bromothiophen-2-yl)ethanone
CID 102975127
2-[2-(hydroxymethyl)phenoxy]-1-(2-methylphenyl)ethanone
CID 63654140
2-[2-(3-bromothiophen-2-yl)-2-oxoethoxy]-4-chlorobenzonitrile
CID 114323779
2-(4-bromo-3-fluorophenoxy)-1-(3-bromothiophen-2-yl)ethanone
CID 65201508
1-(3-bromothiophen-2-yl)-2-(2-chloro-5-nitrophenoxy)ethanone
CID 63992578
1-(3-bromothiophen-2-yl)-2-(2-methyl-4-nitrophenoxy)ethanone
CID 115766248
1-(3-bromothiophen-2-yl)-2-(4-methylsulfonylphenoxy)ethanone
CID 43803922

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone (CID 63654295) is 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone is O=C(COc1ccccc1CO)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone?
The InChIKey is FFYNDQJBEVRXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO3S/c14-10-5-6-18-13(10)11(16)8-17-12-4-2-1-3-9(12)7-15/h1-6,15H,7-8H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone?
1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone has a molecular weight of 327.20 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-[2-(hydroxymethyl)phenoxy]ethanone is sourced from PubChem (CID 63654295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).