1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene

C14H22O3S — CID 89436243

IUPAC1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene
SMILESCCOc1cccc(S(=O)(=O)C(C)(CC)CC)c1
InChIInChI=1S/C14H22O3S/c1-5-14(4,6-2)18(15,16)13-10-8-9-12(11-13)17-7-3/h8-11H,5-7H2,1-4H3
InChIKeyKWRITUGGMGBMJC-UHFFFAOYSA-N
MW270.39 g/mol
LogP3.44
Rot. Bonds6

About 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene

1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene (PubChem CID 89436243) has the molecular formula C14H22O3S and a molecular weight of 270.39 g/mol. Its IUPAC name is 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene.

Molecular Properties

Compound Name1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene
PubChem CID89436243
Molecular FormulaC14H22O3S
Molecular Weight270.39 g/mol
Exact Mass270.13
IUPAC Name1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene
SMILESCCOc1cccc(S(=O)(=O)C(C)(CC)CC)c1
InChIInChI=1S/C14H22O3S/c1-5-14(4,6-2)18(15,16)13-10-8-9-12(11-13)17-7-3/h8-11H,5-7H2,1-4H3
InChIKeyKWRITUGGMGBMJC-UHFFFAOYSA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene 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-chloroethylsulfonyl)-3-ethoxybenzene
CID 59921489
1-(3-ethoxyphenyl)sulfonylpyrrolidine
CID 141152893
N-(2-aminoethyl)-3-ethoxybenzenesulfonamide;hydrochloride
CID 120998864
(2R)-2-(3-ethoxyphenyl)butan-2-ol
CID 97048472
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
CID 60878036
N-tert-butyl-3-ethoxyaniline
CID 58745523
1-ethoxy-3-(1-methoxy-2-methylpropan-2-yl)benzene
CID 141126419
2-[1-(3-ethoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 166179095
1-(3-ethoxyphenyl)-2,2-dimethylbutan-1-ol
CID 115827634
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
3-[[(3-ethoxyphenyl)methylamino]methyl]-N-methylbenzenesulfonamide
CID 56824122
2-methyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62355049

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene?
The IUPAC name of 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene (CID 89436243) is 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene.
What is the SMILES notation for 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene?
The canonical SMILES for 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene is CCOc1cccc(S(=O)(=O)C(C)(CC)CC)c1.
What is the InChIKey of 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene?
The InChIKey is KWRITUGGMGBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3S/c1-5-14(4,6-2)18(15,16)13-10-8-9-12(11-13)17-7-3/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene?
1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene has a molecular weight of 270.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(3-methylpentan-3-ylsulfonyl)benzene is sourced from PubChem (CID 89436243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).