1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

C17H17FOS — CID 114347272

IUPAC1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1cc(F)ccc1CC(=O)CSc1ccccc1C
InChIInChI=1S/C17H17FOS/c1-12-5-3-4-6-17(12)20-11-16(19)10-14-7-8-15(18)9-13(14)2/h3-9H,10-11H2,1-2H3
InChIKeyDLJWXFGGMMHMCO-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.35
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one

1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (PubChem CID 114347272) has the molecular formula C17H17FOS and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
PubChem CID114347272
Molecular FormulaC17H17FOS
Molecular Weight288.39 g/mol
Exact Mass288.10
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
SMILESCc1cc(F)ccc1CC(=O)CSc1ccccc1C
InChIInChI=1S/C17H17FOS/c1-12-5-3-4-6-17(12)20-11-16(19)10-14-7-8-15(18)9-13(14)2/h3-9H,10-11H2,1-2H3
InChIKeyDLJWXFGGMMHMCO-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-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-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 60892959
1-(3,4-difluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 82919916
1-(2-fluoro-3-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 104793477
1-(2-bromo-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66142357
1-(4-bromophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66093825
1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095260
1-bromo-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 130882304
1-(2-chloro-5-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 102617723
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol
CID 113411833
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one (CID 114347272) is 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is Cc1cc(F)ccc1CC(=O)CSc1ccccc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
The InChIKey is DLJWXFGGMMHMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FOS/c1-12-5-3-4-6-17(12)20-11-16(19)10-14-7-8-15(18)9-13(14)2/h3-9H,10-11H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one?
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one has a molecular weight of 288.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one is sourced from PubChem (CID 114347272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).