2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

C16H15BrO2S — CID 43232307

IUPAC2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2ccccc2Br)cc1
InChIInChI=1S/C16H15BrO2S/c1-11(20-15-6-4-3-5-14(15)17)16(18)12-7-9-13(19-2)10-8-12/h3-11H,1-2H3
InChIKeyZGMJKFLDEMMINN-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.82
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one (PubChem CID 43232307) has the molecular formula C16H15BrO2S and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
PubChem CID43232307
Molecular FormulaC16H15BrO2S
Molecular Weight351.27 g/mol
Exact Mass350.00
IUPAC Name2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2ccccc2Br)cc1
InChIInChI=1S/C16H15BrO2S/c1-11(20-15-6-4-3-5-14(15)17)16(18)12-7-9-13(19-2)10-8-12/h3-11H,1-2H3
InChIKeyZGMJKFLDEMMINN-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one (CID 43232307) is 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)Sc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is ZGMJKFLDEMMINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2S/c1-11(20-15-6-4-3-5-14(15)17)16(18)12-7-9-13(19-2)10-8-12/h3-11H,1-2H3.
What are the key properties of 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 351.27 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 43232307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).