3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol

C13H17FOS — CID 106880467

IUPAC3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol
SMILESCc1cc(C)c(C2(O)CSC(C)C2)c(F)c1
InChIInChI=1S/C13H17FOS/c1-8-4-9(2)12(11(14)5-8)13(15)6-10(3)16-7-13/h4-5,10,15H,6-7H2,1-3H3
InChIKeyQDCKBAANNSTDCJ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.16
Rot. Bonds1

About 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol

3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol (PubChem CID 106880467) has the molecular formula C13H17FOS and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol.

Molecular Properties

Compound Name3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol
PubChem CID106880467
Molecular FormulaC13H17FOS
Molecular Weight240.34 g/mol
Exact Mass240.10
IUPAC Name3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol
SMILESCc1cc(C)c(C2(O)CSC(C)C2)c(F)c1
InChIInChI=1S/C13H17FOS/c1-8-4-9(2)12(11(14)5-8)13(15)6-10(3)16-7-13/h4-5,10,15H,6-7H2,1-3H3
InChIKeyQDCKBAANNSTDCJ-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol
CID 106880466
1-(2-fluoro-4,6-dimethylphenyl)-2,4,4-trimethylcyclohexan-1-ol
CID 106880494
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)cyclopropan-1-amine
CID 84767931
5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol
CID 102829319
1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 106880613
1-(2-fluoro-4,6-dimethylphenyl)-2-propan-2-ylcyclohexan-1-ol
CID 106880524
5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol
CID 79949213
1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 106880612
3-[(2,3-difluorophenyl)methyl]-5-methylthiolan-3-ol
CID 79949457
(2R,4S,5S)-1,2,5-trimethyl-4-(2,4,6-trimethylphenyl)piperidin-1-ium-4-ol
CID 11911053

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol?
The IUPAC name of 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol (CID 106880467) is 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol.
What is the SMILES notation for 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol?
The canonical SMILES for 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol is Cc1cc(C)c(C2(O)CSC(C)C2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol?
The InChIKey is QDCKBAANNSTDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FOS/c1-8-4-9(2)12(11(14)5-8)13(15)6-10(3)16-7-13/h4-5,10,15H,6-7H2,1-3H3.
What are the key properties of 3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol?
3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol has a molecular weight of 240.34 g/mol, XLogP of 3.16, 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)-5-methylthiolan-3-ol is sourced from PubChem (CID 106880467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).