2-(5-methyl-2H-thiophen-5-yl)ethanol

C7H12OS — CID 118437192

IUPAC2-(5-methyl-2H-thiophen-5-yl)ethanol
SMILESCC1(CCO)C=CCS1
InChIInChI=1S/C7H12OS/c1-7(4-5-8)3-2-6-9-7/h2-3,8H,4-6H2,1H3
InChIKeyMJBSMURIGNBDGM-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.43
Rot. Bonds2

About 2-(5-methyl-2H-thiophen-5-yl)ethanol

2-(5-methyl-2H-thiophen-5-yl)ethanol (PubChem CID 118437192) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-(5-methyl-2H-thiophen-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyl-2H-thiophen-5-yl)ethanol
PubChem CID118437192
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-(5-methyl-2H-thiophen-5-yl)ethanol
SMILESCC1(CCO)C=CCS1
InChIInChI=1S/C7H12OS/c1-7(4-5-8)3-2-6-9-7/h2-3,8H,4-6H2,1H3
InChIKeyMJBSMURIGNBDGM-UHFFFAOYSA-N
XLogP1.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2H-thiophen-5-yl)ethanol?
The IUPAC name of 2-(5-methyl-2H-thiophen-5-yl)ethanol (CID 118437192) is 2-(5-methyl-2H-thiophen-5-yl)ethanol.
What is the SMILES notation for 2-(5-methyl-2H-thiophen-5-yl)ethanol?
The canonical SMILES for 2-(5-methyl-2H-thiophen-5-yl)ethanol is CC1(CCO)C=CCS1.
What is the InChIKey of 2-(5-methyl-2H-thiophen-5-yl)ethanol?
The InChIKey is MJBSMURIGNBDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-7(4-5-8)3-2-6-9-7/h2-3,8H,4-6H2,1H3.
What are the key properties of 2-(5-methyl-2H-thiophen-5-yl)ethanol?
2-(5-methyl-2H-thiophen-5-yl)ethanol has a molecular weight of 144.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2H-thiophen-5-yl)ethanol is sourced from PubChem (CID 118437192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).