(2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol

C9H12O3S — CID 20373

IUPAC(2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol
SMILESCC1(c2cccs2)OCC(CO)O1
InChIInChI=1S/C9H12O3S/c1-9(8-3-2-4-13-8)11-6-7(5-10)12-9/h2-4,7,10H,5-6H2,1H3
InChIKeyHOANEJPRHBZMAR-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.33
Rot. Bonds2

About (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol

(2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol (PubChem CID 20373) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol
PubChem CID20373
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name(2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol
SMILESCC1(c2cccs2)OCC(CO)O1
InChIInChI=1S/C9H12O3S/c1-9(8-3-2-4-13-8)11-6-7(5-10)12-9/h2-4,7,10H,5-6H2,1H3
InChIKeyHOANEJPRHBZMAR-UHFFFAOYSA-N
XLogP1.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol (CID 20373) is (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol is CC1(c2cccs2)OCC(CO)O1.
What is the InChIKey of (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol?
The InChIKey is HOANEJPRHBZMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-9(8-3-2-4-13-8)11-6-7(5-10)12-9/h2-4,7,10H,5-6H2,1H3.
What are the key properties of (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol?
(2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol has a molecular weight of 200.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-thiophen-2-yl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 20373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).