1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol

C13H12BrClO2S — CID 105119310

IUPAC1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)c1sccc1Br
InChIInChI=1S/C13H12BrClO2S/c1-8(12(16)13-11(14)5-6-18-13)17-10-4-2-3-9(15)7-10/h2-8,12,16H,1H3
InChIKeyBNLAHUIQSDXXQK-UHFFFAOYSA-N
MW347.66 g/mol
LogP4.66
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol

1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol (PubChem CID 105119310) has the molecular formula C13H12BrClO2S and a molecular weight of 347.66 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol
PubChem CID105119310
Molecular FormulaC13H12BrClO2S
Molecular Weight347.66 g/mol
Exact Mass345.94
IUPAC Name1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol
SMILESCC(Oc1cccc(Cl)c1)C(O)c1sccc1Br
InChIInChI=1S/C13H12BrClO2S/c1-8(12(16)13-11(14)5-6-18-13)17-10-4-2-3-9(15)7-10/h2-8,12,16H,1H3
InChIKeyBNLAHUIQSDXXQK-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.66
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-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

2-(3-chlorophenoxy)-1-(2-fluorophenyl)propan-1-ol
CID 105083853
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105132444
2-(3-chlorophenoxy)-1-(2,4,5-trimethylphenyl)propan-1-ol
CID 105103501
2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-ol
CID 105083696
1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 106465641
4-(3-chlorophenoxy)-2,2-dimethylpentan-3-ol
CID 105096700
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
4-(3-chlorophenoxy)-2-methylpent-1-en-3-ol
CID 105110444
2-(3-chlorophenoxy)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 105093982
[1-(3-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 106649782
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
CID 80535916
2-(3-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-ol
CID 102649827

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol (CID 105119310) is 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol is CC(Oc1cccc(Cl)c1)C(O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol?
The InChIKey is BNLAHUIQSDXXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClO2S/c1-8(12(16)13-11(14)5-6-18-13)17-10-4-2-3-9(15)7-10/h2-8,12,16H,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol?
1-(3-bromothiophen-2-yl)-2-(3-chlorophenoxy)propan-1-ol has a molecular weight of 347.66 g/mol, XLogP of 4.66, 4 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-(3-chlorophenoxy)propan-1-ol is sourced from PubChem (CID 105119310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).