1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol

C10H15BrO2S — CID 105119347

IUPAC1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol
SMILESCCCOCCC(O)c1sccc1Br
InChIInChI=1S/C10H15BrO2S/c1-2-5-13-6-3-9(12)10-8(11)4-7-14-10/h4,7,9,12H,2-3,5-6H2,1H3
InChIKeyPSYYIOHBEXFCIY-UHFFFAOYSA-N
MW279.20 g/mol
LogP3.36
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol

1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol (PubChem CID 105119347) has the molecular formula C10H15BrO2S and a molecular weight of 279.20 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol
PubChem CID105119347
Molecular FormulaC10H15BrO2S
Molecular Weight279.20 g/mol
Exact Mass278.00
IUPAC Name1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol
SMILESCCCOCCC(O)c1sccc1Br
InChIInChI=1S/C10H15BrO2S/c1-2-5-13-6-3-9(12)10-8(11)4-7-14-10/h4,7,9,12H,2-3,5-6H2,1H3
InChIKeyPSYYIOHBEXFCIY-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-bromothiophen-2-yl)-3-propoxypropan-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

1-(3-bromothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119402
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
[1-(3-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210144
1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
CID 82987065
1-(3-bromothiophen-2-yl)pentane-1,2-diol
CID 103454860
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285
1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
3-(3-bromothiophen-2-yl)-3-hydroxypropanal
CID 114795337
[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151632
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 115381489

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol?
The IUPAC name of 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol (CID 105119347) is 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol is CCCOCCC(O)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol?
The InChIKey is PSYYIOHBEXFCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrO2S/c1-2-5-13-6-3-9(12)10-8(11)4-7-14-10/h4,7,9,12H,2-3,5-6H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol?
1-(3-bromothiophen-2-yl)-3-propoxypropan-1-ol has a molecular weight of 279.20 g/mol, XLogP of 3.36, 6 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)-3-propoxypropan-1-ol is sourced from PubChem (CID 105119347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).