1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol

C12H18OS — CID 65130803

IUPAC1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol
SMILESCCSCC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C12H18OS/c1-4-14-8-12(13)11-6-9(2)5-10(3)7-11/h5-7,12-13H,4,8H2,1-3H3
InChIKeyVFBKARPZRGDZPS-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.09
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol

1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol (PubChem CID 65130803) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol
PubChem CID65130803
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol
SMILESCCSCC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C12H18OS/c1-4-14-8-12(13)11-6-9(2)5-10(3)7-11/h5-7,12-13H,4,8H2,1-3H3
InChIKeyVFBKARPZRGDZPS-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol (CID 65130803) is 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol is CCSCC(O)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol?
The InChIKey is VFBKARPZRGDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-4-14-8-12(13)11-6-9(2)5-10(3)7-11/h5-7,12-13H,4,8H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol?
1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol has a molecular weight of 210.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-ethylsulfanylethanol is sourced from PubChem (CID 65130803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).