2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol

C15H24O3S — CID 104659576

IUPAC2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol
SMILESCCC(C)SCC(O)c1ccccc1OCCOC
InChIInChI=1S/C15H24O3S/c1-4-12(2)19-11-14(16)13-7-5-6-8-15(13)18-10-9-17-3/h5-8,12,14,16H,4,9-11H2,1-3H3
InChIKeyCQXYSNKOOUYLLK-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.28
Rot. Bonds9

About 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol

2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol (PubChem CID 104659576) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol
PubChem CID104659576
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Name2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol
SMILESCCC(C)SCC(O)c1ccccc1OCCOC
InChIInChI=1S/C15H24O3S/c1-4-12(2)19-11-14(16)13-7-5-6-8-15(13)18-10-9-17-3/h5-8,12,14,16H,4,9-11H2,1-3H3
InChIKeyCQXYSNKOOUYLLK-UHFFFAOYSA-N
XLogP3.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-ol
CID 105125505
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
2-butan-2-ylsulfanyl-1-naphthalen-1-ylethanol
CID 65136052
1-[2-(2-methoxyethoxy)phenyl]-3-methylpentan-1-amine
CID 105035323
2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol
CID 65136288
(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The IUPAC name of 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol (CID 104659576) is 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The canonical SMILES for 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol is CCC(C)SCC(O)c1ccccc1OCCOC.
What is the InChIKey of 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol?
The InChIKey is CQXYSNKOOUYLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-4-12(2)19-11-14(16)13-7-5-6-8-15(13)18-10-9-17-3/h5-8,12,14,16H,4,9-11H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol?
2-butan-2-ylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]ethanol has a molecular weight of 284.42 g/mol, XLogP of 3.28, 9 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-(2-methoxyethoxy)phenyl]ethanol is sourced from PubChem (CID 104659576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).