1-thiophen-2-ylcyclopentan-1-ol

C9H12OS — CID 592018

IUPAC1-thiophen-2-ylcyclopentan-1-ol
SMILESOC1(c2cccs2)CCCC1
InChIInChI=1S/C9H12OS/c10-9(5-1-2-6-9)8-4-3-7-11-8/h3-4,7,10H,1-2,5-6H2
InChIKeyLVYUFFCWBHKMRH-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.51
Rot. Bonds1

About 1-thiophen-2-ylcyclopentan-1-ol

1-thiophen-2-ylcyclopentan-1-ol (PubChem CID 592018) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-thiophen-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name1-thiophen-2-ylcyclopentan-1-ol
PubChem CID592018
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name1-thiophen-2-ylcyclopentan-1-ol
SMILESOC1(c2cccs2)CCCC1
InChIInChI=1S/C9H12OS/c10-9(5-1-2-6-9)8-4-3-7-11-8/h3-4,7,10H,1-2,5-6H2
InChIKeyLVYUFFCWBHKMRH-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcyclopentan-1-ol?
The IUPAC name of 1-thiophen-2-ylcyclopentan-1-ol (CID 592018) is 1-thiophen-2-ylcyclopentan-1-ol.
What is the SMILES notation for 1-thiophen-2-ylcyclopentan-1-ol?
The canonical SMILES for 1-thiophen-2-ylcyclopentan-1-ol is OC1(c2cccs2)CCCC1.
What is the InChIKey of 1-thiophen-2-ylcyclopentan-1-ol?
The InChIKey is LVYUFFCWBHKMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS/c10-9(5-1-2-6-9)8-4-3-7-11-8/h3-4,7,10H,1-2,5-6H2.
What are the key properties of 1-thiophen-2-ylcyclopentan-1-ol?
1-thiophen-2-ylcyclopentan-1-ol has a molecular weight of 168.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcyclopentan-1-ol is sourced from PubChem (CID 592018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).