2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol

C10H14O3S — CID 117169327

IUPAC2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCc1ccc(C2OCC(CCO)O2)s1
InChIInChI=1S/C10H14O3S/c1-7-2-3-9(14-7)10-12-6-8(13-10)4-5-11/h2-3,8,10-11H,4-6H2,1H3
InChIKeyXBZFNGODDFXCPY-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.85
Rot. Bonds3

About 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol

2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117169327) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117169327
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCc1ccc(C2OCC(CCO)O2)s1
InChIInChI=1S/C10H14O3S/c1-7-2-3-9(14-7)10-12-6-8(13-10)4-5-11/h2-3,8,10-11H,4-6H2,1H3
InChIKeyXBZFNGODDFXCPY-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol (CID 117169327) is 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol is Cc1ccc(C2OCC(CCO)O2)s1.
What is the InChIKey of 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is XBZFNGODDFXCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-7-2-3-9(14-7)10-12-6-8(13-10)4-5-11/h2-3,8,10-11H,4-6H2,1H3.
What are the key properties of 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol?
2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 214.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117169327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).