1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone

C15H13BrO2S — CID 63649687

IUPAC1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
SMILESCSc1ccccc1OCC(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrO2S/c1-19-15-9-5-4-8-14(15)18-10-13(17)11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyNHNBKVYGXQXBMH-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.43
Rot. Bonds5

About 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone

1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone (PubChem CID 63649687) has the molecular formula C15H13BrO2S and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
PubChem CID63649687
Molecular FormulaC15H13BrO2S
Molecular Weight337.24 g/mol
Exact Mass335.98
IUPAC Name1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone
SMILESCSc1ccccc1OCC(=O)c1ccccc1Br
InChIInChI=1S/C15H13BrO2S/c1-19-15-9-5-4-8-14(15)18-10-13(17)11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyNHNBKVYGXQXBMH-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-1-(2-bromophenyl)ethanone
CID 60623805
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
1-(2,5-dimethylphenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63647847
1-(2-methylsulfanylphenoxy)propan-2-one
CID 63649691
1-(2-bromophenyl)-2-(2,3-dichlorophenoxy)ethanone
CID 60624762
1-methoxy-3-(2-methylsulfanylphenoxy)propan-2-one
CID 107508154
1-(2-bromophenyl)-2-(2-chloro-4-methylphenoxy)ethanone
CID 62673255
1-(2-bromophenyl)-2-ethoxyethanone
CID 43799585
2-bromo-1-(2-methylsulfanylphenyl)ethanone
CID 22462171
1-(2-bromophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
CID 60626225
1-(4-fluorophenyl)-3-(2-methylsulfanylphenoxy)propan-2-one
CID 63648016
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone (CID 63649687) is 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone is CSc1ccccc1OCC(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone?
The InChIKey is NHNBKVYGXQXBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2S/c1-19-15-9-5-4-8-14(15)18-10-13(17)11-6-2-3-7-12(11)16/h2-9H,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone?
1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone has a molecular weight of 337.24 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanone is sourced from PubChem (CID 63649687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).