1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone

C15H13BrO2S — CID 64638337

IUPAC1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrO2S/c1-11-4-2-3-5-15(11)19(18)10-14(17)12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKeyWTXYPZWNPNTFRD-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.75
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone

1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone (PubChem CID 64638337) has the molecular formula C15H13BrO2S and a molecular weight of 337.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
PubChem CID64638337
Molecular FormulaC15H13BrO2S
Molecular Weight337.24 g/mol
Exact Mass335.98
IUPAC Name1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone
SMILESCc1ccccc1S(=O)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H13BrO2S/c1-11-4-2-3-5-15(11)19(18)10-14(17)12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKeyWTXYPZWNPNTFRD-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637079
2-(2-methylphenyl)sulfinyl-1-(2,4,5-trimethylphenyl)ethanone
CID 64638938
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
1-(2,5-dibromothiophen-3-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64640545
1-(2-methylphenyl)sulfinylbutan-2-one
CID 64641154
1-(furan-2-yl)-2-(2-methylphenyl)sulfinylethanone
CID 64639348
1-methyl-2-[(2-methylphenyl)sulfinylmethylsulfinyl]benzene
CID 163864796
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64638732
1-cyclohexyl-2-(2-methylphenyl)sulfinylethanone
CID 113449628
2-(2-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanone
CID 104756299
3-(2-methylphenyl)sulfinylpropanoic acid
CID 61303171

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone (CID 64638337) is 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone is Cc1ccccc1S(=O)CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone?
The InChIKey is WTXYPZWNPNTFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2S/c1-11-4-2-3-5-15(11)19(18)10-14(17)12-6-8-13(16)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone?
1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone has a molecular weight of 337.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-methylphenyl)sulfinylethanone is sourced from PubChem (CID 64638337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).