2-methoxy-2-thiophen-3-ylethanol

C7H10O2S — CID 119092951

IUPAC2-methoxy-2-thiophen-3-ylethanol
SMILESCOC(CO)c1ccsc1
InChIInChI=1S/C7H10O2S/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7-8H,4H2,1H3
InChIKeyMJJTWXDTAVBRLL-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.43
Rot. Bonds3

About 2-methoxy-2-thiophen-3-ylethanol

2-methoxy-2-thiophen-3-ylethanol (PubChem CID 119092951) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-methoxy-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-methoxy-2-thiophen-3-ylethanol
PubChem CID119092951
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name2-methoxy-2-thiophen-3-ylethanol
SMILESCOC(CO)c1ccsc1
InChIInChI=1S/C7H10O2S/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7-8H,4H2,1H3
InChIKeyMJJTWXDTAVBRLL-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-Methyl 2-hydroxy-2-thiophene-3-ylacetate
CID 24776729
5,7-dihydro-4H-thieno[2,3-c]pyran-7-ylmethanol
CID 178301870
(alphaS)-alpha-Methyl-3-thiophenemethanol
CID 11297979
Methyl (2s)-2-hydroxy-2-(thiophen-3-yl)acetate
CID 154577683
(1R)-1-(thiophen-3-yl)ethan-1-ol
CID 11528346
1-(Thiophen-3-yl)ethanol
CID 12744375
1-(Thiophen-3-yl)prop-2-en-1-ol
CID 19780492
(1R)-1-thiophen-3-ylprop-2-en-1-ol
CID 124509514
(R)-[(2R)-oxiran-2-yl]-thiophen-3-ylmethanol
CID 131018320
Methyl 2-hydroxy-2-(thiophen-3-yl)acetate
CID 19806271
(1R)-1-thiophen-3-ylpropan-1-ol
CID 11275065
(1S)-1-thiophen-3-ylprop-2-en-1-ol
CID 11977277

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-thiophen-3-ylethanol?
The IUPAC name of 2-methoxy-2-thiophen-3-ylethanol (CID 119092951) is 2-methoxy-2-thiophen-3-ylethanol.
What is the SMILES notation for 2-methoxy-2-thiophen-3-ylethanol?
The canonical SMILES for 2-methoxy-2-thiophen-3-ylethanol is COC(CO)c1ccsc1.
What is the InChIKey of 2-methoxy-2-thiophen-3-ylethanol?
The InChIKey is MJJTWXDTAVBRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-9-7(4-8)6-2-3-10-5-6/h2-3,5,7-8H,4H2,1H3.
What are the key properties of 2-methoxy-2-thiophen-3-ylethanol?
2-methoxy-2-thiophen-3-ylethanol has a molecular weight of 158.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-thiophen-3-ylethanol is sourced from PubChem (CID 119092951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).