trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol

C10H14OS — CID 14005678

IUPACtrans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1c1ccsc1
InChIInChI=1S/C10H14OS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h5-7,9-11H,1-4H2/t9-,10+/m1/s1
InChIKeyMGQFSPUSGVUREY-ZJUUUORDSA-N
MW182.29 g/mol
LogP2.77
Rot. Bonds1

About trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol

trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol (PubChem CID 14005678) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol
PubChem CID14005678
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Nametrans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1c1ccsc1
InChIInChI=1S/C10H14OS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h5-7,9-11H,1-4H2/t9-,10+/m1/s1
InChIKeyMGQFSPUSGVUREY-ZJUUUORDSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol (CID 14005678) is trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol is O[C@H]1CCCC[C@@H]1c1ccsc1.
What is the InChIKey of trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol?
The InChIKey is MGQFSPUSGVUREY-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H14OS/c11-10-4-2-1-3-9(10)8-5-6-12-7-8/h5-7,9-11H,1-4H2/t9-,10+/m1/s1.
What are the key properties of trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol?
trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol has a molecular weight of 182.29 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-thiophen-3-ylcyclohexan-1-ol is sourced from PubChem (CID 14005678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).