(1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol

C8H12O2S — CID 137375764

IUPAC(1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol
SMILESCO[C@H](c1cccs1)[C@@H](C)O
InChIInChI=1S/C8H12O2S/c1-6(9)8(10-2)7-4-3-5-11-7/h3-6,8-9H,1-2H3/t6-,8+/m1/s1
InChIKeySTEPXSKXEFZNHC-SVRRBLITSA-N
MW172.25 g/mol
LogP1.82
Rot. Bonds3

About (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol

(1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol (PubChem CID 137375764) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol
PubChem CID137375764
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name(1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol
SMILESCO[C@H](c1cccs1)[C@@H](C)O
InChIInChI=1S/C8H12O2S/c1-6(9)8(10-2)7-4-3-5-11-7/h3-6,8-9H,1-2H3/t6-,8+/m1/s1
InChIKeySTEPXSKXEFZNHC-SVRRBLITSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol?
The IUPAC name of (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol (CID 137375764) is (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol is CO[C@H](c1cccs1)[C@@H](C)O.
What is the InChIKey of (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol?
The InChIKey is STEPXSKXEFZNHC-SVRRBLITSA-N. The full InChI is InChI=1S/C8H12O2S/c1-6(9)8(10-2)7-4-3-5-11-7/h3-6,8-9H,1-2H3/t6-,8+/m1/s1.
What are the key properties of (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol?
(1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-methoxy-1-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 137375764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).