1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene

C16H26OS — CID 139383888

IUPAC1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene
SMILESCC(C)CSCCOc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H26OS/c1-13(2)11-15-5-7-16(8-6-15)17-9-10-18-12-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPSYUAOZKJAJSLU-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.65
Rot. Bonds8

About 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene

1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene (PubChem CID 139383888) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene
PubChem CID139383888
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene
SMILESCC(C)CSCCOc1ccc(CC(C)C)cc1
InChIInChI=1S/C16H26OS/c1-13(2)11-15-5-7-16(8-6-15)17-9-10-18-12-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyPSYUAOZKJAJSLU-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methylpropyl)phenoxy]ethanamine
CID 96670599
1-[2-(2-methylpropoxy)ethoxy]-4-(2-methylpropyl)benzene
CID 134169966
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
1-decoxy-4-(2-methylpropyl)benzene
CID 58996843
7-[4-(2-methylpropyl)phenoxy]heptanoic acid
CID 59134606
3-[2-(2-methylpropylsulfanyl)ethoxy]aniline
CID 43366405
N-[[4-(2-ethylsulfanylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113473373
4-[2-(2-methylbutylsulfanyl)ethoxy]aniline
CID 107748817
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
[4-[2-(3-methylbutylsulfanyl)ethoxy]phenyl]boronic acid
CID 107754401
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine
CID 28918450
(2S)-2-amino-3-[2-(4-methylphenoxy)ethylsulfanyl]propanoic acid
CID 93031279

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene?
The IUPAC name of 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene (CID 139383888) is 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene is CC(C)CSCCOc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene?
The InChIKey is PSYUAOZKJAJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-13(2)11-15-5-7-16(8-6-15)17-9-10-18-12-14(3)4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene?
1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene has a molecular weight of 266.45 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[2-(2-methylpropylsulfanyl)ethoxy]benzene is sourced from PubChem (CID 139383888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).