1-(3-methylthiophen-2-yl)hex-4-yn-1-ol

C11H14OS — CID 104809425

IUPAC1-(3-methylthiophen-2-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1sccc1C
InChIInChI=1S/C11H14OS/c1-3-4-5-6-10(12)11-9(2)7-8-13-11/h7-8,10,12H,5-6H2,1-2H3
InChIKeyCENULCRVOFALDT-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.89
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol

1-(3-methylthiophen-2-yl)hex-4-yn-1-ol (PubChem CID 104809425) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)hex-4-yn-1-ol
PubChem CID104809425
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name1-(3-methylthiophen-2-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1sccc1C
InChIInChI=1S/C11H14OS/c1-3-4-5-6-10(12)11-9(2)7-8-13-11/h7-8,10,12H,5-6H2,1-2H3
InChIKeyCENULCRVOFALDT-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

N-methyl-1-(3-methylthiophen-2-yl)hex-4-yn-1-amine
CID 105037504
1-(3-methylthiophen-2-yl)tridecan-1-ol
CID 65148369
1-(2,6-dimethylphenyl)hex-4-yn-1-ol
CID 104809723
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
1-(3-chlorothiophen-2-yl)hex-4-yn-1-amine
CID 105037487
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
2-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 62388216
3-amino-1-(dimethylamino)-1-(3-methylthiophen-2-yl)propan-2-ol
CID 116911789
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
2-(1-methoxybut-2-ynyl)-3-methylthiophene
CID 101480682

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol?
The IUPAC name of 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol (CID 104809425) is 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol?
The canonical SMILES for 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol is CC#CCCC(O)c1sccc1C.
What is the InChIKey of 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol?
The InChIKey is CENULCRVOFALDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-3-4-5-6-10(12)11-9(2)7-8-13-11/h7-8,10,12H,5-6H2,1-2H3.
What are the key properties of 1-(3-methylthiophen-2-yl)hex-4-yn-1-ol?
1-(3-methylthiophen-2-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-(3-methylthiophen-2-yl)hex-4-yn-1-ol is sourced from PubChem (CID 104809425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).