1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene

C15H15FO4S — CID 52619425

IUPAC1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
SMILESCS(=O)(=O)c1cccc(OCCOc2cccc(F)c2)c1
InChIInChI=1S/C15H15FO4S/c1-21(17,18)15-7-3-6-14(11-15)20-9-8-19-13-5-2-4-12(16)10-13/h2-7,10-11H,8-9H2,1H3
InChIKeyQXQSHVIYEVYZGF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.69
Rot. Bonds6

About 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene

1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene (PubChem CID 52619425) has the molecular formula C15H15FO4S and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
PubChem CID52619425
Molecular FormulaC15H15FO4S
Molecular Weight310.35 g/mol
Exact Mass310.07
IUPAC Name1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
SMILESCS(=O)(=O)c1cccc(OCCOc2cccc(F)c2)c1
InChIInChI=1S/C15H15FO4S/c1-21(17,18)15-7-3-6-14(11-15)20-9-8-19-13-5-2-4-12(16)10-13/h2-7,10-11H,8-9H2,1H3
InChIKeyQXQSHVIYEVYZGF-UHFFFAOYSA-N
XLogP2.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]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-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928
6-(3-methylsulfonylphenoxy)hexan-1-ol
CID 107705404
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62571065
1-(2,5-difluorophenyl)-2-(3-methylsulfonylphenoxy)ethanol
CID 109416332
1-(2,2-dimethoxyethoxy)-3-methylsulfonylbenzene
CID 66223828
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
CID 60878036
1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
CID 112686090
1-amino-2-methyl-4-(3-methylsulfonylphenoxy)butan-2-ol
CID 64815262
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
5-(3-methylsulfonylphenoxy)-N-propylpentan-1-amine
CID 62486291

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene?
The IUPAC name of 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene (CID 52619425) is 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene?
The canonical SMILES for 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene is CS(=O)(=O)c1cccc(OCCOc2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene?
The InChIKey is QXQSHVIYEVYZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO4S/c1-21(17,18)15-7-3-6-14(11-15)20-9-8-19-13-5-2-4-12(16)10-13/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene?
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene has a molecular weight of 310.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene is sourced from PubChem (CID 52619425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).