1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone

C15H13BrO4S — CID 43612917

IUPAC1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
SMILESCS(=O)(=O)c1cccc(OCC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H13BrO4S/c1-21(18,19)12-6-4-5-11(9-12)20-10-15(17)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3
InChIKeyOZULWYYBXOOGKG-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.11
Rot. Bonds5

About 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone

1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone (PubChem CID 43612917) has the molecular formula C15H13BrO4S and a molecular weight of 369.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
PubChem CID43612917
Molecular FormulaC15H13BrO4S
Molecular Weight369.24 g/mol
Exact Mass367.97
IUPAC Name1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
SMILESCS(=O)(=O)c1cccc(OCC(=O)c2ccccc2Br)c1
InChIInChI=1S/C15H13BrO4S/c1-21(18,19)12-6-4-5-11(9-12)20-10-15(17)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3
InChIKeyOZULWYYBXOOGKG-UHFFFAOYSA-N
XLogP3.11
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612904
1-(4-iodophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612905
1-(2-bromophenyl)-2-naphthalen-2-yloxyethanone
CID 22123529
2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-cyclopropyl-2-(3-methylsulfonylphenoxy)ethanone
CID 63904019
1-(2-bromophenyl)-2-(4-chloro-3-fluorophenoxy)ethanone
CID 82716737
butyl 2-(3-methylsulfonylphenoxy)acetate
CID 54942460
1-(3-bromo-2-fluorophenyl)-2-phenoxyethanone
CID 106644772
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
3-(3-methylsulfonylphenoxy)propanamide
CID 55149798
N-benzyl-2-(3-methylsulfonylphenoxy)-N-propan-2-ylacetamide
CID 55733109
4-(3-methylsulfonylphenoxy)butan-1-ol
CID 43612928

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone (CID 43612917) is 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone is CS(=O)(=O)c1cccc(OCC(=O)c2ccccc2Br)c1.
What is the InChIKey of 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone?
The InChIKey is OZULWYYBXOOGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO4S/c1-21(18,19)12-6-4-5-11(9-12)20-10-15(17)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone?
1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone has a molecular weight of 369.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone is sourced from PubChem (CID 43612917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).