(2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol

C11H18O2S — CID 15895957

IUPAC(2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol
SMILESCCCC[C@@H](O)COCc1cccs1
InChIInChI=1S/C11H18O2S/c1-2-3-5-10(12)8-13-9-11-6-4-7-14-11/h4,6-7,10,12H,2-3,5,8-9H2,1H3/t10-/m1/s1
InChIKeyVKEXPWFZQDVYCA-SNVBAGLBSA-N
MW214.33 g/mol
LogP2.82
Rot. Bonds7

About (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol

(2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol (PubChem CID 15895957) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol.

Molecular Properties

Compound Name(2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol
PubChem CID15895957
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name(2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol
SMILESCCCC[C@@H](O)COCc1cccs1
InChIInChI=1S/C11H18O2S/c1-2-3-5-10(12)8-13-9-11-6-4-7-14-11/h4,6-7,10,12H,2-3,5,8-9H2,1H3/t10-/m1/s1
InChIKeyVKEXPWFZQDVYCA-SNVBAGLBSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol?
The IUPAC name of (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol (CID 15895957) is (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol.
What is the SMILES notation for (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol?
The canonical SMILES for (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol is CCCC[C@@H](O)COCc1cccs1.
What is the InChIKey of (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol?
The InChIKey is VKEXPWFZQDVYCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18O2S/c1-2-3-5-10(12)8-13-9-11-6-4-7-14-11/h4,6-7,10,12H,2-3,5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol?
(2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(thiophen-2-ylmethoxy)hexan-2-ol is sourced from PubChem (CID 15895957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).