2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone

C15H12BrFOS — CID 114964825

IUPAC2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H12BrFOS/c1-19-12-5-3-11(4-6-12)15(18)9-10-2-7-14(17)13(16)8-10/h2-8H,9H2,1H3
InChIKeyOFHBDGZBJDSIKC-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.74
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone

2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 114964825) has the molecular formula C15H12BrFOS and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID114964825
Molecular FormulaC15H12BrFOS
Molecular Weight339.23 g/mol
Exact Mass337.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(C(=O)Cc2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C15H12BrFOS/c1-19-12-5-3-11(4-6-12)15(18)9-10-2-7-14(17)13(16)8-10/h2-8H,9H2,1H3
InChIKeyOFHBDGZBJDSIKC-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone 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

2-(3-bromo-4-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 63411740
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736596
1-(3-bromo-4-fluorophenyl)-2-(4-fluorophenyl)ethanone
CID 79737324
2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114963469
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 115818932
2-(3-bromo-4-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63555057
2-(3-bromo-4-fluorophenyl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609313
2-bromo-1-fluoro-4-methylsulfanylbenzene
CID 83409864
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107884087
2-(3-bromo-4-fluorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanone
CID 115736473
3-amino-1-(3-bromo-4-fluorophenyl)butan-2-one
CID 116551731

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone (CID 114964825) is 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone is CSc1ccc(C(=O)Cc2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is OFHBDGZBJDSIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFOS/c1-19-12-5-3-11(4-6-12)15(18)9-10-2-7-14(17)13(16)8-10/h2-8H,9H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone?
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 339.23 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 114964825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).