1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol

C11H14O2S — CID 115833633

IUPAC1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1cc(OC)cs1
InChIInChI=1S/C11H14O2S/c1-3-4-5-6-10(12)11-7-9(13-2)8-14-11/h7-8,10,12H,5-6H2,1-2H3
InChIKeyCCXXSECWRKUPCL-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.59
Rot. Bonds4

About 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol

1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol (PubChem CID 115833633) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol
PubChem CID115833633
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol
SMILESCC#CCCC(O)c1cc(OC)cs1
InChIInChI=1S/C11H14O2S/c1-3-4-5-6-10(12)11-7-9(13-2)8-14-11/h7-8,10,12H,5-6H2,1-2H3
InChIKeyCCXXSECWRKUPCL-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
1-(4-methoxythiophen-2-yl)hex-5-en-1-ol
CID 115804240
1-(4-methoxythiophen-2-yl)-4-methylsulfonylbutan-1-ol
CID 115780120
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
1-(5-bromothiophen-3-yl)hex-4-yn-1-ol
CID 105126513
2-(4-tert-butylphenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115786578
2-(furan-3-yl)-1-(4-methoxythiophen-2-yl)ethanol
CID 115830281
1-(4-methoxythiophen-2-yl)-2-thiophen-2-ylethanol
CID 81129052
2-(2,6-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81128653
2-(3,4-difluorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129056
2-(3,4-dichlorophenyl)-1-(4-methoxythiophen-2-yl)ethanol
CID 81129746
4-methoxy-1-(4-methoxythiophen-2-yl)-2-methylbutan-1-ol
CID 115836147

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol?
The IUPAC name of 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol (CID 115833633) is 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol is CC#CCCC(O)c1cc(OC)cs1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol?
The InChIKey is CCXXSECWRKUPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-3-4-5-6-10(12)11-7-9(13-2)8-14-11/h7-8,10,12H,5-6H2,1-2H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol?
1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol has a molecular weight of 210.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)hex-4-yn-1-ol is sourced from PubChem (CID 115833633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).