1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol

C10H10BrClOS — CID 102830296

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol
SMILESC#CCCCC(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H10BrClOS/c1-2-3-4-5-8(13)9-6-7(11)10(12)14-9/h1,6,8,13H,3-5H2
InChIKeyTVNVLXLGQWRSGY-UHFFFAOYSA-N
MW293.61 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol

1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol (PubChem CID 102830296) has the molecular formula C10H10BrClOS and a molecular weight of 293.61 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol
PubChem CID102830296
Molecular FormulaC10H10BrClOS
Molecular Weight293.61 g/mol
Exact Mass291.93
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol
SMILESC#CCCCC(O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H10BrClOS/c1-2-3-4-5-8(13)9-6-7(11)10(12)14-9/h1,6,8,13H,3-5H2
InChIKeyTVNVLXLGQWRSGY-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-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-(4-bromo-5-chlorothiophen-2-yl)-2-(2-chlorophenyl)ethanol
CID 102829814
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
1-(4-bromo-5-chlorothiophen-2-yl)-2-methoxyethanol
CID 102830262
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanol
CID 102830220
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857075
1-(5-bromo-4-methylthiophen-2-yl)pent-4-yn-1-ol
CID 115799398
1-(5-bromothiophen-3-yl)hex-5-yn-1-ol
CID 105124621
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethylphenyl)ethanol
CID 102829878
1-(4-bromo-5-chlorothiophen-2-yl)-2-(4-tert-butylphenyl)ethanol
CID 102830173
1-(5-chlorothiophen-2-yl)pent-4-yn-1-ol
CID 63895314
1-(2-bromo-5-fluorophenyl)hex-5-yn-1-ol
CID 115831811

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol (CID 102830296) is 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol is C#CCCCC(O)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol?
The InChIKey is TVNVLXLGQWRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClOS/c1-2-3-4-5-8(13)9-6-7(11)10(12)14-9/h1,6,8,13H,3-5H2.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol?
1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol has a molecular weight of 293.61 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)hex-5-yn-1-ol is sourced from PubChem (CID 102830296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).