1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one

C16H15BrO2S — CID 65327335

IUPAC1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one
SMILESCOc1ccc(Br)c(CC(=O)CSc2ccccc2)c1
InChIInChI=1S/C16H15BrO2S/c1-19-14-7-8-16(17)12(10-14)9-13(18)11-20-15-5-3-2-4-6-15/h2-8,10H,9,11H2,1H3
InChIKeyUEBLGJNSSBGPQG-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.36
Rot. Bonds6

About 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one

1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one (PubChem CID 65327335) has the molecular formula C16H15BrO2S and a molecular weight of 351.27 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one
PubChem CID65327335
Molecular FormulaC16H15BrO2S
Molecular Weight351.27 g/mol
Exact Mass350.00
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one
SMILESCOc1ccc(Br)c(CC(=O)CSc2ccccc2)c1
InChIInChI=1S/C16H15BrO2S/c1-19-14-7-8-16(17)12(10-14)9-13(18)11-20-15-5-3-2-4-6-15/h2-8,10H,9,11H2,1H3
InChIKeyUEBLGJNSSBGPQG-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-5-methoxyphenyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66145597
1-(2-bromo-5-methoxyphenyl)pentan-2-one
CID 65327573
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
3-(2-bromo-5-methoxyphenyl)-1-phenylpropane-1,2-dione
CID 141009493
1-(2-bromo-5-methoxyphenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 65328007
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one
CID 116562652
1-(3-bromophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-one
CID 66142964
1-(2-bromo-5-methoxyphenyl)-4-pyridin-2-ylbutan-2-one
CID 105102243
2-(2-bromo-5-methoxyphenyl)-1-(2,5-dibromophenyl)ethanone
CID 114973645
1-(2-bromo-5-methoxyphenyl)-5-methoxyhexan-2-one
CID 105102302
5-amino-1-(2-bromo-5-methoxyphenyl)-4-methylpentan-2-one
CID 116596709

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one (CID 65327335) is 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one is COc1ccc(Br)c(CC(=O)CSc2ccccc2)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one?
The InChIKey is UEBLGJNSSBGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2S/c1-19-14-7-8-16(17)12(10-14)9-13(18)11-20-15-5-3-2-4-6-15/h2-8,10H,9,11H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one?
1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one has a molecular weight of 351.27 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-phenylsulfanylpropan-2-one is sourced from PubChem (CID 65327335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).