4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol

C15H20O2S — CID 106203831

IUPAC4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol
SMILESOCCC#Cc1csc(COCCC2CCC2)c1
InChIInChI=1S/C15H20O2S/c16-8-2-1-4-14-10-15(18-12-14)11-17-9-7-13-5-3-6-13/h10,12-13,16H,2-3,5-9,11H2
InChIKeyCQWHNVGPOPJYJU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.19
Rot. Bonds6

About 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol

4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol (PubChem CID 106203831) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol
PubChem CID106203831
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol
SMILESOCCC#Cc1csc(COCCC2CCC2)c1
InChIInChI=1S/C15H20O2S/c16-8-2-1-4-14-10-15(18-12-14)11-17-9-7-13-5-3-6-13/h10,12-13,16H,2-3,5-9,11H2
InChIKeyCQWHNVGPOPJYJU-UHFFFAOYSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(2-cyclopropylethoxymethyl)thiophen-2-yl]but-3-yn-1-ol
CID 114157752
4-[2-(2-cyclobutylethoxymethyl)phenyl]but-3-yn-1-ol
CID 106203848
3-[5-(cyclobutyloxymethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 62140665
4-[5-[[4-(2-hydroxyethyl)phenoxy]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 107709793
4-[5-[(4-methylazepan-1-yl)methyl]thiophen-3-yl]but-3-yn-1-ol
CID 55249794
3-[4-(2-cyclobutylethoxymethyl)phenyl]prop-2-yn-1-ol
CID 106203857
2-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl-methylamino]cyclohexan-1-ol
CID 102636228
3-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690045
4-[5-[[2-ethoxyethyl(methyl)amino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 81062349
4-[5-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]thiophen-3-yl]but-3-yn-1-ol
CID 105416371
4-[3-[2-(2-cyclopropylethoxy)ethoxy]phenyl]but-3-yn-1-ol
CID 106203810
N-[[4-(4-hydroxybut-1-ynyl)thiophen-2-yl]methyl]-3-methylpiperidine-1-carboxamide
CID 79158728

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol?
The IUPAC name of 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol (CID 106203831) is 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol.
What is the SMILES notation for 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol?
The canonical SMILES for 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol is OCCC#Cc1csc(COCCC2CCC2)c1.
What is the InChIKey of 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol?
The InChIKey is CQWHNVGPOPJYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c16-8-2-1-4-14-10-15(18-12-14)11-17-9-7-13-5-3-6-13/h10,12-13,16H,2-3,5-9,11H2.
What are the key properties of 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol?
4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol has a molecular weight of 264.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-cyclobutylethoxymethyl)thiophen-3-yl]but-3-yn-1-ol is sourced from PubChem (CID 106203831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).