1-(4-methylthiophen-3-yl)hex-4-yn-1-ol

C11H14OS — CID 104804116

IUPAC1-(4-methylthiophen-3-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1cscc1C
InChIInChI=1S/C11H14OS/c1-3-4-5-6-11(12)10-8-13-7-9(10)2/h7-8,11-12H,5-6H2,1-2H3
InChIKeyOCTSNGWLBJUYGM-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.89
Rot. Bonds3

About 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol

1-(4-methylthiophen-3-yl)hex-4-yn-1-ol (PubChem CID 104804116) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(4-methylthiophen-3-yl)hex-4-yn-1-ol
PubChem CID104804116
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-(4-methylthiophen-3-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1cscc1C
InChIInChI=1S/C11H14OS/c1-3-4-5-6-11(12)10-8-13-7-9(10)2/h7-8,11-12H,5-6H2,1-2H3
InChIKeyOCTSNGWLBJUYGM-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylthiophen-3-yl)hex-4-yn-1-amine
CID 104806929
5,5,5-trifluoro-1-(4-methylthiophen-3-yl)pentan-1-ol
CID 115516207
1-(2,6-dimethylphenyl)hex-4-yn-1-ol
CID 104809723
1-(3-methylthiophen-2-yl)hex-4-yn-1-ol
CID 104809425
1-(2,6-dimethyl-3-pyridinyl)hex-4-yn-1-ol
CID 105126569
3-ethyl-1-(4-methylthiophen-3-yl)pentan-1-ol
CID 82919949
1-(4-bromo-3,5-dimethylphenyl)hex-4-yn-1-ol
CID 114329886
1-(5-bromothiophen-3-yl)hex-4-yn-1-ol
CID 105126513
2-hydroxy-2-(4-methylthiophen-3-yl)ethanesulfonic acid
CID 175129954
1-(2,3-dichlorophenyl)hex-4-yn-1-ol
CID 104809418
1-(2,4-dibromophenyl)hex-4-yn-1-ol
CID 107947793
1-(5-bromo-2-fluorophenyl)hex-4-yn-1-ol
CID 104809446

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol?
The IUPAC name of 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol (CID 104804116) is 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol?
The canonical SMILES for 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol is CC#CCCC(O)c1cscc1C.
What is the InChIKey of 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol?
The InChIKey is OCTSNGWLBJUYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-4-5-6-11(12)10-8-13-7-9(10)2/h7-8,11-12H,5-6H2,1-2H3.
What are the key properties of 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol?
1-(4-methylthiophen-3-yl)hex-4-yn-1-ol has a molecular weight of 194.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophen-3-yl)hex-4-yn-1-ol is sourced from PubChem (CID 104804116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).