1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol

C11H17ClOS — CID 103407894

IUPAC1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1scc(C)c1Cl
InChIInChI=1S/C11H17ClOS/c1-3-4-5-6-9(13)11-10(12)8(2)7-14-11/h7,9,13H,3-6H2,1-2H3
InChIKeyVYYYGKVOUUWUQZ-UHFFFAOYSA-N
MW232.78 g/mol
LogP4.32
Rot. Bonds5

About 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol

1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol (PubChem CID 103407894) has the molecular formula C11H17ClOS and a molecular weight of 232.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
PubChem CID103407894
Molecular FormulaC11H17ClOS
Molecular Weight232.78 g/mol
Exact Mass232.07
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
SMILESCCCCCC(O)c1scc(C)c1Cl
InChIInChI=1S/C11H17ClOS/c1-3-4-5-6-9(13)11-10(12)8(2)7-14-11/h7,9,13H,3-6H2,1-2H3
InChIKeyVYYYGKVOUUWUQZ-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 54.32
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

1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)hexylhydrazine
CID 103408484
1-(3-chloro-4-methylthiophen-2-yl)heptylhydrazine
CID 103408474
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbut-3-en-1-ol
CID 103408113
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
2-(4-bromothiophen-2-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103407934
1-(3-chloro-4-methylthiophen-2-yl)-2-(2,4-difluorophenyl)ethanol
CID 103405659
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 103407860
2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol
CID 103406633

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol (CID 103407894) is 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol is CCCCCC(O)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol?
The InChIKey is VYYYGKVOUUWUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClOS/c1-3-4-5-6-9(13)11-10(12)8(2)7-14-11/h7,9,13H,3-6H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol?
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol has a molecular weight of 232.78 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol is sourced from PubChem (CID 103407894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).