1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol

C14H16OS2 — CID 58568063

IUPAC1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol
SMILESCC(O)(c1ccsc1-c1cccs1)C1CCC1
InChIInChI=1S/C14H16OS2/c1-14(15,10-4-2-5-10)11-7-9-17-13(11)12-6-3-8-16-12/h3,6-10,15H,2,4-5H2,1H3
InChIKeyXZDDGUIDHOGQHX-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.48
Rot. Bonds3

About 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol

1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol (PubChem CID 58568063) has the molecular formula C14H16OS2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol
PubChem CID58568063
Molecular FormulaC14H16OS2
Molecular Weight264.41 g/mol
Exact Mass264.06
IUPAC Name1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol
SMILESCC(O)(c1ccsc1-c1cccs1)C1CCC1
InChIInChI=1S/C14H16OS2/c1-14(15,10-4-2-5-10)11-7-9-17-13(11)12-6-3-8-16-12/h3,6-10,15H,2,4-5H2,1H3
InChIKeyXZDDGUIDHOGQHX-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol?
The IUPAC name of 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol (CID 58568063) is 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol.
What is the SMILES notation for 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol?
The canonical SMILES for 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol is CC(O)(c1ccsc1-c1cccs1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol?
The InChIKey is XZDDGUIDHOGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS2/c1-14(15,10-4-2-5-10)11-7-9-17-13(11)12-6-3-8-16-12/h3,6-10,15H,2,4-5H2,1H3.
What are the key properties of 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol?
1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol has a molecular weight of 264.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-(2-thiophen-2-ylthiophen-3-yl)ethanol is sourced from PubChem (CID 58568063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).