1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol

C14H22O2S — CID 113473755

IUPAC1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol
SMILESCCSCCCOc1ccc(C)cc1C(C)O
InChIInChI=1S/C14H22O2S/c1-4-17-9-5-8-16-14-7-6-11(2)10-13(14)12(3)15/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyWAOXHBYFTSJSIJ-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.57
Rot. Bonds7

About 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol

1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol (PubChem CID 113473755) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol
PubChem CID113473755
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol
SMILESCCSCCCOc1ccc(C)cc1C(C)O
InChIInChI=1S/C14H22O2S/c1-4-17-9-5-8-16-14-7-6-11(2)10-13(14)12(3)15/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyWAOXHBYFTSJSIJ-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylsulfanylethoxy)-4-methyl-2-propan-2-ylbenzene
CID 151512691
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
(1S)-1-[5-methyl-2-(3-phenylpropoxy)phenyl]ethanol
CID 78933854
(1R)-1-(2-butoxy-4-methylphenyl)ethanol
CID 63650593
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
methyl 4-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]butanoate
CID 78933644
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol (CID 113473755) is 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol is CCSCCCOc1ccc(C)cc1C(C)O.
What is the InChIKey of 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol?
The InChIKey is WAOXHBYFTSJSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-4-17-9-5-8-16-14-7-6-11(2)10-13(14)12(3)15/h6-7,10,12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol?
1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol has a molecular weight of 254.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylsulfanylpropoxy)-5-methylphenyl]ethanol is sourced from PubChem (CID 113473755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).