1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone

C12H9BrO2S — CID 103458210

IUPAC1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone
SMILESO=C(c1sccc1Br)C(O)c1ccccc1
InChIInChI=1S/C12H9BrO2S/c13-9-6-7-16-12(9)11(15)10(14)8-4-2-1-3-5-8/h1-7,10,14H
InChIKeyREAFXVOXEPEKQX-UHFFFAOYSA-N
MW297.17 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone

1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone (PubChem CID 103458210) has the molecular formula C12H9BrO2S and a molecular weight of 297.17 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone
PubChem CID103458210
Molecular FormulaC12H9BrO2S
Molecular Weight297.17 g/mol
Exact Mass295.95
IUPAC Name1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone
SMILESO=C(c1sccc1Br)C(O)c1ccccc1
InChIInChI=1S/C12H9BrO2S/c13-9-6-7-16-12(9)11(15)10(14)8-4-2-1-3-5-8/h1-7,10,14H
InChIKeyREAFXVOXEPEKQX-UHFFFAOYSA-N
XLogP3.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone 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-methoxy-2-phenylethanone
CID 116751377
1-(3-bromothiophen-2-yl)-2-hydroxypropan-1-one
CID 103451476
1-(3-bromothiophen-2-yl)-2-hydroxybutan-1-one
CID 103453115
(2R)-2-amino-1-(3-bromothiophen-2-yl)propan-1-one
CID 96896773
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 103717860
2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone
CID 43654841
3-bromo-N-(2-phenylpropyl)thiophene-2-carboxamide
CID 47220275
3-bromo-N-[(4-methylphenyl)-phenylmethyl]thiophene-2-carboxamide
CID 55757567
2-(3-bromothiophene-2-carbonyl)propanedinitrile
CID 79169765
2-hydroxy-1,2-diphenylethanone
CID 159399559
N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
CID 80506518
1-(3-bromothiophen-2-yl)-2-phenylethane-1,2-diol
CID 103459382

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone (CID 103458210) is 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone is O=C(c1sccc1Br)C(O)c1ccccc1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone?
The InChIKey is REAFXVOXEPEKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO2S/c13-9-6-7-16-12(9)11(15)10(14)8-4-2-1-3-5-8/h1-7,10,14H.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone?
1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone has a molecular weight of 297.17 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 103458210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).