1-thiophen-2-ylcycloheptan-1-ol

C11H16OS — CID 61103027

IUPAC1-thiophen-2-ylcycloheptan-1-ol
SMILESOC1(c2cccs2)CCCCCC1
InChIInChI=1S/C11H16OS/c12-11(10-6-5-9-13-10)7-3-1-2-4-8-11/h5-6,9,12H,1-4,7-8H2
InChIKeyRBEKMCXGMLVZMS-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.29
Rot. Bonds1

About 1-thiophen-2-ylcycloheptan-1-ol

1-thiophen-2-ylcycloheptan-1-ol (PubChem CID 61103027) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-thiophen-2-ylcycloheptan-1-ol.

Molecular Properties

Compound Name1-thiophen-2-ylcycloheptan-1-ol
PubChem CID61103027
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-thiophen-2-ylcycloheptan-1-ol
SMILESOC1(c2cccs2)CCCCCC1
InChIInChI=1S/C11H16OS/c12-11(10-6-5-9-13-10)7-3-1-2-4-8-11/h5-6,9,12H,1-4,7-8H2
InChIKeyRBEKMCXGMLVZMS-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcycloheptan-1-ol?
The IUPAC name of 1-thiophen-2-ylcycloheptan-1-ol (CID 61103027) is 1-thiophen-2-ylcycloheptan-1-ol.
What is the SMILES notation for 1-thiophen-2-ylcycloheptan-1-ol?
The canonical SMILES for 1-thiophen-2-ylcycloheptan-1-ol is OC1(c2cccs2)CCCCCC1.
What is the InChIKey of 1-thiophen-2-ylcycloheptan-1-ol?
The InChIKey is RBEKMCXGMLVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c12-11(10-6-5-9-13-10)7-3-1-2-4-8-11/h5-6,9,12H,1-4,7-8H2.
What are the key properties of 1-thiophen-2-ylcycloheptan-1-ol?
1-thiophen-2-ylcycloheptan-1-ol has a molecular weight of 196.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcycloheptan-1-ol is sourced from PubChem (CID 61103027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).