1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene

C15H15ClO4S — CID 51191187

IUPAC1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
SMILESCS(=O)(=O)c1ccc(OCCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClO4S/c1-21(17,18)15-7-5-13(6-8-15)19-9-10-20-14-4-2-3-12(16)11-14/h2-8,11H,9-10H2,1H3
InChIKeyHSDQCRRFFPFSQY-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.20
Rot. Bonds6

About 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene

1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene (PubChem CID 51191187) has the molecular formula C15H15ClO4S and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
PubChem CID51191187
Molecular FormulaC15H15ClO4S
Molecular Weight326.80 g/mol
Exact Mass326.04
IUPAC Name1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene
SMILESCS(=O)(=O)c1ccc(OCCOc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClO4S/c1-21(17,18)15-7-5-13(6-8-15)19-9-10-20-14-4-2-3-12(16)11-14/h2-8,11H,9-10H2,1H3
InChIKeyHSDQCRRFFPFSQY-UHFFFAOYSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
1-[(3-chlorophenyl)methyl]-4-[2-[4-(4-methylsulfonylphenyl)phenoxy]ethyl]piperidine
CID 142782102
1-(5-chloropentoxy)-4-methylsulfonylbenzene
CID 43806955
1-chloro-3-(2-propan-2-yloxyethoxy)benzene
CID 60643608
1-fluoro-3-[2-(3-methylsulfonylphenoxy)ethoxy]benzene
CID 52619425
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 154798923
CID 131885829
CID 131885829
3-[2-(3-chlorophenoxy)ethoxy]benzonitrile
CID 43213521
4-chloro-N-[2-(3-chlorophenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113099484
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
3-(3-chlorophenoxy)propanal
CID 63040616
5-(3-chlorophenoxy)pentan-2-one
CID 62030286

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene?
The IUPAC name of 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene (CID 51191187) is 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene?
The canonical SMILES for 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene is CS(=O)(=O)c1ccc(OCCOc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene?
The InChIKey is HSDQCRRFFPFSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO4S/c1-21(17,18)15-7-5-13(6-8-15)19-9-10-20-14-4-2-3-12(16)11-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene?
1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene has a molecular weight of 326.80 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(4-methylsulfonylphenoxy)ethoxy]benzene is sourced from PubChem (CID 51191187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).