2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol

C14H22O3S — CID 65136288

IUPAC2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol
SMILESCCC(C)SCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H22O3S/c1-5-10(2)18-9-13(15)12-8-11(16-3)6-7-14(12)17-4/h6-8,10,13,15H,5,9H2,1-4H3
InChIKeyLNLZJTRNQDECPZ-UHFFFAOYSA-N
MW270.39 g/mol
LogP3.27
Rot. Bonds7

About 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol

2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 65136288) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID65136288
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol
SMILESCCC(C)SCC(O)c1cc(OC)ccc1OC
InChIInChI=1S/C14H22O3S/c1-5-10(2)18-9-13(15)12-8-11(16-3)6-7-14(12)17-4/h6-8,10,13,15H,5,9H2,1-4H3
InChIKeyLNLZJTRNQDECPZ-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(2,5-dimethoxyphenyl)-2-[ethyl(2-methylpropyl)amino]ethanol
CID 60969431
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
1-(2,5-dimethoxyphenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 60970630
[1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226182
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
2-butan-2-ylsulfanyl-1-(4-chloro-3-methoxyphenyl)ethanol
CID 79699095
1-(2,5-dimethoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027520
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol (CID 65136288) is 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol is CCC(C)SCC(O)c1cc(OC)ccc1OC.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is LNLZJTRNQDECPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-5-10(2)18-9-13(15)12-8-11(16-3)6-7-14(12)17-4/h6-8,10,13,15H,5,9H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol?
2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 270.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 65136288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).