1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone

C11H13BrO2S — CID 64639156

IUPAC1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
SMILESCC(C)S(=O)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H13BrO2S/c1-8(2)15(14)7-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyGYQYYPFUJODWTQ-UHFFFAOYSA-N
MW289.19 g/mol
LogP2.79
Rot. Bonds4

About 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone

1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone (PubChem CID 64639156) has the molecular formula C11H13BrO2S and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
PubChem CID64639156
Molecular FormulaC11H13BrO2S
Molecular Weight289.19 g/mol
Exact Mass287.98
IUPAC Name1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
SMILESCC(C)S(=O)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H13BrO2S/c1-8(2)15(14)7-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3
InChIKeyGYQYYPFUJODWTQ-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
1-(3-bromophenyl)-2-iodoethanone
CID 22380807
3-amino-1-(3-bromophenyl)butan-1-one
CID 81462573
1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
CID 64639173
2-butan-2-ylsulfinyl-1-(3-methylphenyl)ethanone
CID 64639266
1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
CID 64639949
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
1-(3-bromophenyl)dodecan-1-one
CID 146009457
2-(3-methylbutan-2-ylsulfinyl)-1-(3-methylphenyl)ethanone
CID 107767608
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
1-(3-bromophenyl)-2-(cyclopentylmethylsulfinyl)ethanone
CID 64640185

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone?
The IUPAC name of 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone (CID 64639156) is 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone is CC(C)S(=O)CC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone?
The InChIKey is GYQYYPFUJODWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2S/c1-8(2)15(14)7-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone?
1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone has a molecular weight of 289.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone is sourced from PubChem (CID 64639156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).