3-(2-methoxyphenyl)-2-methylthiolan-3-ol

C12H16O2S — CID 83823248

IUPAC3-(2-methoxyphenyl)-2-methylthiolan-3-ol
SMILESCOc1ccccc1C1(O)CCSC1C
InChIInChI=1S/C12H16O2S/c1-9-12(13,7-8-15-9)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyYDSHYWJFQDIFMU-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.41
Rot. Bonds2

About 3-(2-methoxyphenyl)-2-methylthiolan-3-ol

3-(2-methoxyphenyl)-2-methylthiolan-3-ol (PubChem CID 83823248) has the molecular formula C12H16O2S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methylthiolan-3-ol.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methylthiolan-3-ol
PubChem CID83823248
Molecular FormulaC12H16O2S
Molecular Weight224.33 g/mol
Exact Mass224.09
IUPAC Name3-(2-methoxyphenyl)-2-methylthiolan-3-ol
SMILESCOc1ccccc1C1(O)CCSC1C
InChIInChI=1S/C12H16O2S/c1-9-12(13,7-8-15-9)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyYDSHYWJFQDIFMU-UHFFFAOYSA-N
XLogP2.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methylthiolan-3-ol?
The IUPAC name of 3-(2-methoxyphenyl)-2-methylthiolan-3-ol (CID 83823248) is 3-(2-methoxyphenyl)-2-methylthiolan-3-ol.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methylthiolan-3-ol?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methylthiolan-3-ol is COc1ccccc1C1(O)CCSC1C.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methylthiolan-3-ol?
The InChIKey is YDSHYWJFQDIFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-12(13,7-8-15-9)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-2-methylthiolan-3-ol?
3-(2-methoxyphenyl)-2-methylthiolan-3-ol has a molecular weight of 224.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methylthiolan-3-ol is sourced from PubChem (CID 83823248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).