6-(2,5-dibromothiophen-3-yl)hexan-1-ol

C10H14Br2OS — CID 86013367

IUPAC6-(2,5-dibromothiophen-3-yl)hexan-1-ol
SMILESOCCCCCCc1cc(Br)sc1Br
InChIInChI=1S/C10H14Br2OS/c11-9-7-8(10(12)14-9)5-3-1-2-4-6-13/h7,13H,1-6H2
InChIKeyFCGYDWDEDYEMON-UHFFFAOYSA-N
MW342.10 g/mol
LogP4.37
Rot. Bonds6

About 6-(2,5-dibromothiophen-3-yl)hexan-1-ol

6-(2,5-dibromothiophen-3-yl)hexan-1-ol (PubChem CID 86013367) has the molecular formula C10H14Br2OS and a molecular weight of 342.10 g/mol. Its IUPAC name is 6-(2,5-dibromothiophen-3-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(2,5-dibromothiophen-3-yl)hexan-1-ol
PubChem CID86013367
Molecular FormulaC10H14Br2OS
Molecular Weight342.10 g/mol
Exact Mass339.91
IUPAC Name6-(2,5-dibromothiophen-3-yl)hexan-1-ol
SMILESOCCCCCCc1cc(Br)sc1Br
InChIInChI=1S/C10H14Br2OS/c11-9-7-8(10(12)14-9)5-3-1-2-4-6-13/h7,13H,1-6H2
InChIKeyFCGYDWDEDYEMON-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.10
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-(2,5-dibromothiophen-3-yl)undecan-1-ol
CID 101496328
6-(2,5-dibromothiophen-3-yl)hexanoic acid
CID 43446944
6-(2,5-dibromothiophen-3-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 65306343
2,5-dibromo-3-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]thiophene
CID 102230432
1-(2,5-dibromothiophen-3-yl)pentan-3-one
CID 122517209
2-(2,5-dibromothiophen-3-yl)-N-methylethanamine
CID 139824397
2,5-dibromo-3-dec-3-ynylthiophene
CID 67460155
2,5-dibromo-3-ethylthiophene
CID 14896125
2-(6-hydroxyhexyl)cycloprop-2-en-1-one
CID 10975707
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
5-bromo-3-hexyl-2-methylthiophene
CID 58352067
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dibromothiophen-3-yl)hexan-1-ol?
The IUPAC name of 6-(2,5-dibromothiophen-3-yl)hexan-1-ol (CID 86013367) is 6-(2,5-dibromothiophen-3-yl)hexan-1-ol.
What is the SMILES notation for 6-(2,5-dibromothiophen-3-yl)hexan-1-ol?
The canonical SMILES for 6-(2,5-dibromothiophen-3-yl)hexan-1-ol is OCCCCCCc1cc(Br)sc1Br.
What is the InChIKey of 6-(2,5-dibromothiophen-3-yl)hexan-1-ol?
The InChIKey is FCGYDWDEDYEMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2OS/c11-9-7-8(10(12)14-9)5-3-1-2-4-6-13/h7,13H,1-6H2.
What are the key properties of 6-(2,5-dibromothiophen-3-yl)hexan-1-ol?
6-(2,5-dibromothiophen-3-yl)hexan-1-ol has a molecular weight of 342.10 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dibromothiophen-3-yl)hexan-1-ol is sourced from PubChem (CID 86013367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).