1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene

C13H20O3S — CID 64764761

IUPAC1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
SMILESCCS(=O)(=O)CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20O3S/c1-4-17(14,15)10-9-16-13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyGGYUAVYBIAEXKQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.62
Rot. Bonds6

About 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene

1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene (PubChem CID 64764761) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
PubChem CID64764761
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
SMILESCCS(=O)(=O)CCOc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20O3S/c1-4-17(14,15)10-9-16-13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3
InChIKeyGGYUAVYBIAEXKQ-UHFFFAOYSA-N
XLogP2.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64763839
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide
CID 60571529
(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
CID 63364098
1-[2-(diethylsulfamoylamino)ethoxy]-4-propan-2-ylbenzene
CID 87032676
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
1-[2-(4-bromophenoxy)ethylsulfonyl]propan-2-amine
CID 81189902
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene
CID 176559998

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene?
The IUPAC name of 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene (CID 64764761) is 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene is CCS(=O)(=O)CCOc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene?
The InChIKey is GGYUAVYBIAEXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-4-17(14,15)10-9-16-13-7-5-12(6-8-13)11(2)3/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene?
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene has a molecular weight of 256.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 64764761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).