1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol

C12H18OS — CID 63900161

IUPAC1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C12H18OS/c1-9-6-10(2)8-11(7-9)12(13)4-5-14-3/h6-8,12-13H,4-5H2,1-3H3
InChIKeyGINYGEKFEOTLRK-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.09
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol

1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol (PubChem CID 63900161) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol
PubChem CID63900161
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1cc(C)cc(C)c1
InChIInChI=1S/C12H18OS/c1-9-6-10(2)8-11(7-9)12(13)4-5-14-3/h6-8,12-13H,4-5H2,1-3H3
InChIKeyGINYGEKFEOTLRK-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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Related Compounds

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
1-Phenylethanol, (R)-
CID 637516
3-Methylbenzyl alcohol
CID 11476
1-Phenylethanol, (S)-
CID 443135
fenipentol, (S)-
CID 6992754
3,5-Dimethylbenzyl alcohol
CID 33706
1-Phenylbutan-1-ol
CID 179386
1-Phenyl-1-hexanol
CID 221292
(S)-(-)-1-Phenyl-1-propanol
CID 2734864
(1S)-2-methyl-1-phenylpropan-1-ol
CID 5325937

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol (CID 63900161) is 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol is CSCCC(O)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol?
The InChIKey is GINYGEKFEOTLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-9-6-10(2)8-11(7-9)12(13)4-5-14-3/h6-8,12-13H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol?
1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol 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)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 63900161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).