1-(2-thiophen-3-ylcyclopropyl)ethanol

C9H12OS — CID 53275681

IUPAC1-(2-thiophen-3-ylcyclopropyl)ethanol
SMILESCC(O)C1CC1c1ccsc1
InChIInChI=1S/C9H12OS/c1-6(10)8-4-9(8)7-2-3-11-5-7/h2-3,5-6,8-10H,4H2,1H3
InChIKeyWWJFDQUTTSXRDD-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.23
Rot. Bonds2

About 1-(2-thiophen-3-ylcyclopropyl)ethanol

1-(2-thiophen-3-ylcyclopropyl)ethanol (PubChem CID 53275681) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(2-thiophen-3-ylcyclopropyl)ethanol.

Molecular Properties

Compound Name1-(2-thiophen-3-ylcyclopropyl)ethanol
PubChem CID53275681
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name1-(2-thiophen-3-ylcyclopropyl)ethanol
SMILESCC(O)C1CC1c1ccsc1
InChIInChI=1S/C9H12OS/c1-6(10)8-4-9(8)7-2-3-11-5-7/h2-3,5-6,8-10H,4H2,1H3
InChIKeyWWJFDQUTTSXRDD-UHFFFAOYSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-3-ylcyclopropyl)ethanol?
The IUPAC name of 1-(2-thiophen-3-ylcyclopropyl)ethanol (CID 53275681) is 1-(2-thiophen-3-ylcyclopropyl)ethanol.
What is the SMILES notation for 1-(2-thiophen-3-ylcyclopropyl)ethanol?
The canonical SMILES for 1-(2-thiophen-3-ylcyclopropyl)ethanol is CC(O)C1CC1c1ccsc1.
What is the InChIKey of 1-(2-thiophen-3-ylcyclopropyl)ethanol?
The InChIKey is WWJFDQUTTSXRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c1-6(10)8-4-9(8)7-2-3-11-5-7/h2-3,5-6,8-10H,4H2,1H3.
What are the key properties of 1-(2-thiophen-3-ylcyclopropyl)ethanol?
1-(2-thiophen-3-ylcyclopropyl)ethanol has a molecular weight of 168.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-3-ylcyclopropyl)ethanol is sourced from PubChem (CID 53275681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).