1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol

C13H12BrClOS — CID 55118276

IUPAC1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol
SMILESOC(Cc1ccc(Cl)s1)Cc1ccccc1Br
InChIInChI=1S/C13H12BrClOS/c14-12-4-2-1-3-9(12)7-10(16)8-11-5-6-13(15)17-11/h1-6,10,16H,7-8H2
InChIKeyOLPWJOWHRJIPFR-UHFFFAOYSA-N
MW331.66 g/mol
LogP4.31
Rot. Bonds4

About 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol

1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol (PubChem CID 55118276) has the molecular formula C13H12BrClOS and a molecular weight of 331.66 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol
PubChem CID55118276
Molecular FormulaC13H12BrClOS
Molecular Weight331.66 g/mol
Exact Mass329.95
IUPAC Name1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol
SMILESOC(Cc1ccc(Cl)s1)Cc1ccccc1Br
InChIInChI=1S/C13H12BrClOS/c14-12-4-2-1-3-9(12)7-10(16)8-11-5-6-13(15)17-11/h1-6,10,16H,7-8H2
InChIKeyOLPWJOWHRJIPFR-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.66
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol 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-(2-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62608628
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
CID 62692341
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
2-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 79448562
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 62899782
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039
2-(2-bromophenyl)-1-(5-chlorofuran-2-yl)ethanol
CID 106693547

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol?
The IUPAC name of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol (CID 55118276) is 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol is OC(Cc1ccc(Cl)s1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol?
The InChIKey is OLPWJOWHRJIPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClOS/c14-12-4-2-1-3-9(12)7-10(16)8-11-5-6-13(15)17-11/h1-6,10,16H,7-8H2.
What are the key properties of 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol?
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol has a molecular weight of 331.66 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol is sourced from PubChem (CID 55118276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).