6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol

C10H14BrIOS — CID 102450706

IUPAC6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol
SMILESOCCCCCCc1cc(I)sc1Br
InChIInChI=1S/C10H14BrIOS/c11-10-8(7-9(12)14-10)5-3-1-2-4-6-13/h7,13H,1-6H2
InChIKeyXAAFNUXQDJTZGL-UHFFFAOYSA-N
MW389.10 g/mol
LogP4.21
Rot. Bonds6

About 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol

6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol (PubChem CID 102450706) has the molecular formula C10H14BrIOS and a molecular weight of 389.10 g/mol. Its IUPAC name is 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol
PubChem CID102450706
Molecular FormulaC10H14BrIOS
Molecular Weight389.10 g/mol
Exact Mass387.90
IUPAC Name6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol
SMILESOCCCCCCc1cc(I)sc1Br
InChIInChI=1S/C10H14BrIOS/c11-10-8(7-9(12)14-10)5-3-1-2-4-6-13/h7,13H,1-6H2
InChIKeyXAAFNUXQDJTZGL-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.10
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol?
The IUPAC name of 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol (CID 102450706) is 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol.
What is the SMILES notation for 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol?
The canonical SMILES for 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol is OCCCCCCc1cc(I)sc1Br.
What is the InChIKey of 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol?
The InChIKey is XAAFNUXQDJTZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrIOS/c11-10-8(7-9(12)14-10)5-3-1-2-4-6-13/h7,13H,1-6H2.
What are the key properties of 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol?
6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol has a molecular weight of 389.10 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-5-iodothiophen-3-yl)hexan-1-ol is sourced from PubChem (CID 102450706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).