2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol

C12H18O3S — CID 117358289

IUPAC2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol
SMILESCOc1c(SC)ccc(C(C)(C)O)c1OC
InChIInChI=1S/C12H18O3S/c1-12(2,13)8-6-7-9(16-5)11(15-4)10(8)14-3/h6-7,13H,1-5H3
InChIKeyUWUOQKFDDMPTOF-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.65
Rot. Bonds4

About 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol

2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol (PubChem CID 117358289) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol
PubChem CID117358289
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol
SMILESCOc1c(SC)ccc(C(C)(C)O)c1OC
InChIInChI=1S/C12H18O3S/c1-12(2,13)8-6-7-9(16-5)11(15-4)10(8)14-3/h6-7,13H,1-5H3
InChIKeyUWUOQKFDDMPTOF-UHFFFAOYSA-N
XLogP2.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol (CID 117358289) is 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol is COc1c(SC)ccc(C(C)(C)O)c1OC.
What is the InChIKey of 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol?
The InChIKey is UWUOQKFDDMPTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3S/c1-12(2,13)8-6-7-9(16-5)11(15-4)10(8)14-3/h6-7,13H,1-5H3.
What are the key properties of 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol?
2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol has a molecular weight of 242.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxy-4-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 117358289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).