3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol

C12H15FOS — CID 106880466

IUPAC3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol
SMILESCc1cc(C)c(C2(O)CCSC2)c(F)c1
InChIInChI=1S/C12H15FOS/c1-8-5-9(2)11(10(13)6-8)12(14)3-4-15-7-12/h5-6,14H,3-4,7H2,1-2H3
InChIKeyRWAXXXSIVUKRPS-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.77
Rot. Bonds1

About 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol

3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol (PubChem CID 106880466) has the molecular formula C12H15FOS and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol
PubChem CID106880466
Molecular FormulaC12H15FOS
Molecular Weight226.32 g/mol
Exact Mass226.08
IUPAC Name3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol
SMILESCc1cc(C)c(C2(O)CCSC2)c(F)c1
InChIInChI=1S/C12H15FOS/c1-8-5-9(2)11(10(13)6-8)12(14)3-4-15-7-12/h5-6,14H,3-4,7H2,1-2H3
InChIKeyRWAXXXSIVUKRPS-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol 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

3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol
CID 106880467
1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84767931
3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
CID 106880528
1-(2-fluoro-4,6-dimethylphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429597
1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106880494
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
CID 106880524
3-(5-methylthiophen-2-yl)thiolan-3-ol
CID 79950263
1-(3-fluoro-2,5-dimethylphenyl)cyclopropan-1-ol
CID 84768148
3-(4-methoxy-2-methylphenyl)thiolan-3-ol
CID 79950374
2-ethyl-2-(2-fluoro-4,6-dimethylphenyl)pyrrolidine
CID 106881701
3-(3-methylphenyl)thian-3-ol
CID 83688253
1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 106880613

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol?
The IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol (CID 106880466) is 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol?
The canonical SMILES for 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol is Cc1cc(C)c(C2(O)CCSC2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol?
The InChIKey is RWAXXXSIVUKRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FOS/c1-8-5-9(2)11(10(13)6-8)12(14)3-4-15-7-12/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol?
3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol has a molecular weight of 226.32 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol is sourced from PubChem (CID 106880466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).