1-(5-tert-butylthiophen-2-yl)ethanol

C10H16OS — CID 58902618

IUPAC1-(5-tert-butylthiophen-2-yl)ethanol
SMILESCC(O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C10H16OS/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5-7,11H,1-4H3
InChIKeyVWDUXYFGNAWQKL-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.10
Rot. Bonds1

About 1-(5-tert-butylthiophen-2-yl)ethanol

1-(5-tert-butylthiophen-2-yl)ethanol (PubChem CID 58902618) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)ethanol
PubChem CID58902618
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name1-(5-tert-butylthiophen-2-yl)ethanol
SMILESCC(O)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C10H16OS/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5-7,11H,1-4H3
InChIKeyVWDUXYFGNAWQKL-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)ethanol?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)ethanol (CID 58902618) is 1-(5-tert-butylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)ethanol is CC(O)c1ccc(C(C)(C)C)s1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)ethanol?
The InChIKey is VWDUXYFGNAWQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-7(11)8-5-6-9(12-8)10(2,3)4/h5-7,11H,1-4H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)ethanol?
1-(5-tert-butylthiophen-2-yl)ethanol has a molecular weight of 184.30 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)ethanol is sourced from PubChem (CID 58902618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).