[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]ethanol
CID 117169327
(2S,4S)-4-(chloromethyl)-2-(5-methylthiophen-2-yl)-1,3-dioxolane
CID 97301275
3-[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]propanoic acid
CID 117169398
[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253898
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899
4-(chloromethyl)-2-(5-ethylthiophen-2-yl)-1,3-dioxolane
CID 82775608
2-(5-methylthiophen-2-yl)-1,3-dioxolane
CID 55255317
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
CID 82112171
[6-(5-methylthiophen-2-yl)oxan-2-yl]methanamine
CID 130583755
[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol
CID 163756517
bicyclo[2.2.2]octa-1,3,5,7-tetraene;oxiran-2-ylmethanol
CID 23187370

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).