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

C9H12O3S — CID 115094617

IUPAC[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCc1ccc(C2OCC(CO)O2)s1
InChIInChI=1S/C9H12O3S/c1-6-2-3-8(13-6)9-11-5-7(4-10)12-9/h2-3,7,9-10H,4-5H2,1H3
InChIKeyKSSFWSCWGORCJJ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.46
Rot. Bonds2

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

[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 115094617) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID115094617
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCc1ccc(C2OCC(CO)O2)s1
InChIInChI=1S/C9H12O3S/c1-6-2-3-8(13-6)9-11-5-7(4-10)12-9/h2-3,7,9-10H,4-5H2,1H3
InChIKeyKSSFWSCWGORCJJ-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol (CID 115094617) is [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol is Cc1ccc(C2OCC(CO)O2)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is KSSFWSCWGORCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-6-2-3-8(13-6)9-11-5-7(4-10)12-9/h2-3,7,9-10H,4-5H2,1H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol?
[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 200.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 115094617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).