4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene

C15H24O2S — CID 112815261

IUPAC4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene
SMILESCOCCSCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C15H24O2S/c1-12(2)15-6-5-14(11-13(15)3)17-8-10-18-9-7-16-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyDWKJMOOHYJQPHD-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.88
Rot. Bonds8

About 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene

4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene (PubChem CID 112815261) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene
PubChem CID112815261
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene
SMILESCOCCSCCOc1ccc(C(C)C)c(C)c1
InChIInChI=1S/C15H24O2S/c1-12(2)15-6-5-14(11-13(15)3)17-8-10-18-9-7-16-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyDWKJMOOHYJQPHD-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
2-(3-methyl-4-propan-2-ylphenoxy)ethyl N'-aminocarbamimidothioate
CID 77060725
2-[2-methoxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 115613652
2-(3-methyl-4-propan-2-ylphenoxy)ethyl carbamimidothioate
CID 36521491
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
4-[4-(2-methoxyethyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 55317557
5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43249759
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
2-methyl-N-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]propan-2-amine
CID 2299544
2-[2-hydroxyethyl-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]amino]ethanol
CID 60686361
butyl-[3-(3-methyl-4-propan-2-ylphenoxy)propyl]azanium
CID 2581324

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene?
The IUPAC name of 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene (CID 112815261) is 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene.
What is the SMILES notation for 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene?
The canonical SMILES for 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene is COCCSCCOc1ccc(C(C)C)c(C)c1.
What is the InChIKey of 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene?
The InChIKey is DWKJMOOHYJQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-12(2)15-6-5-14(11-13(15)3)17-8-10-18-9-7-16-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene?
4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene has a molecular weight of 268.42 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene is sourced from PubChem (CID 112815261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).