1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene

C14H22O3S — CID 106732629

IUPAC1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
SMILESCCCS(=O)(=O)CCOc1ccccc1C(C)C
InChIInChI=1S/C14H22O3S/c1-4-10-18(15,16)11-9-17-14-8-6-5-7-13(14)12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyZNGQPVNMAFKNPC-UHFFFAOYSA-N
MW270.39 g/mol
LogP3.01
Rot. Bonds7

About 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene

1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene (PubChem CID 106732629) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene.

Molecular Properties

Compound Name1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
PubChem CID106732629
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
SMILESCCCS(=O)(=O)CCOc1ccccc1C(C)C
InChIInChI=1S/C14H22O3S/c1-4-10-18(15,16)11-9-17-14-8-6-5-7-13(14)12(2)3/h5-8,12H,4,9-11H2,1-3H3
InChIKeyZNGQPVNMAFKNPC-UHFFFAOYSA-N
XLogP3.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine
CID 106721929
2-(2-propylsulfonylethoxy)phenol
CID 106726690
1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
1-octoxy-2-propan-2-ylbenzene
CID 64765685
1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]ethanol
CID 106726198
N,N-diethyl-3-(2-propan-2-ylphenoxy)propan-1-amine
CID 2263014
2-bromo-3-(2-propylsulfonylethoxy)aniline
CID 106721733
1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
CID 81189444
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 61057681
N-[[2-chloro-6-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722417
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
CID 61057154

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene?
The IUPAC name of 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene (CID 106732629) is 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene.
What is the SMILES notation for 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene?
The canonical SMILES for 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene is CCCS(=O)(=O)CCOc1ccccc1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene?
The InChIKey is ZNGQPVNMAFKNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-4-10-18(15,16)11-9-17-14-8-6-5-7-13(14)12(2)3/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene?
1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene has a molecular weight of 270.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene is sourced from PubChem (CID 106732629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).