1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one

C17H17BrO2S — CID 64637250

IUPAC1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one
SMILESCc1ccc(C)c(S(=O)C(C)C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrO2S/c1-11-4-5-12(2)16(10-11)21(20)13(3)17(19)14-6-8-15(18)9-7-14/h4-10,13H,1-3H3
InChIKeyXGOYPIBBQSFCRS-UHFFFAOYSA-N
MW365.29 g/mol
LogP4.44
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one

1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one (PubChem CID 64637250) has the molecular formula C17H17BrO2S and a molecular weight of 365.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one
PubChem CID64637250
Molecular FormulaC17H17BrO2S
Molecular Weight365.29 g/mol
Exact Mass364.01
IUPAC Name1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one
SMILESCc1ccc(C)c(S(=O)C(C)C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrO2S/c1-11-4-5-12(2)16(10-11)21(20)13(3)17(19)14-6-8-15(18)9-7-14/h4-10,13H,1-3H3
InChIKeyXGOYPIBBQSFCRS-UHFFFAOYSA-N
XLogP4.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dimethylphenyl)sulfinylbutan-2-one
CID 64636891
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylethanone
CID 64637079
1-(4-bromophenyl)-2-tert-butylsulfinylpropan-1-one
CID 64640875
2-bromo-1-(4-bromophenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 131954877
3-(2,5-dimethylphenyl)sulfinylbutan-2-amine
CID 64657321
1-(4-bromophenyl)-2-chloro-2-(4-methylphenyl)ethanone
CID 21408735
3-(2,4-dimethylphenyl)sulfinylbutan-2-one
CID 64637617
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354748
1-(4-bromophenyl)-3-(2,4-dimethylanilino)propan-1-one
CID 100817184
(2R)-1-(4-bromophenyl)-2-(4-methyl-2-nitrophenoxy)propan-1-one
CID 8563079
1-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxy]propan-1-one
CID 43800354
1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one (CID 64637250) is 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one is Cc1ccc(C)c(S(=O)C(C)C(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one?
The InChIKey is XGOYPIBBQSFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO2S/c1-11-4-5-12(2)16(10-11)21(20)13(3)17(19)14-6-8-15(18)9-7-14/h4-10,13H,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one?
1-(4-bromophenyl)-2-(2,5-dimethylphenyl)sulfinylpropan-1-one has a molecular weight of 365.29 g/mol, XLogP of 4.44, 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-(2,5-dimethylphenyl)sulfinylpropan-1-one is sourced from PubChem (CID 64637250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).