2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol

C7H12O2S — CID 57311025

IUPAC2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol
SMILESCOCCC1SC=CC1O
InChIInChI=1S/C7H12O2S/c1-9-4-2-7-6(8)3-5-10-7/h3,5-8H,2,4H2,1H3
InChIKeyCFNFOYSBLAAVSD-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol

2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol (PubChem CID 57311025) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol.

Molecular Properties

Compound Name2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol
PubChem CID57311025
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol
SMILESCOCCC1SC=CC1O
InChIInChI=1S/C7H12O2S/c1-9-4-2-7-6(8)3-5-10-7/h3,5-8H,2,4H2,1H3
InChIKeyCFNFOYSBLAAVSD-UHFFFAOYSA-N
XLogP1.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol?
The IUPAC name of 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol (CID 57311025) is 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol.
What is the SMILES notation for 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol?
The canonical SMILES for 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol is COCCC1SC=CC1O.
What is the InChIKey of 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol?
The InChIKey is CFNFOYSBLAAVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-9-4-2-7-6(8)3-5-10-7/h3,5-8H,2,4H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol?
2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol has a molecular weight of 160.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-2,3-dihydrothiophen-3-ol is sourced from PubChem (CID 57311025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).