1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one

C17H17FOS — CID 66072049

IUPAC1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
SMILESCc1ccc(CC(=O)CSc2cccc(F)c2)cc1C
InChIInChI=1S/C17H17FOS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10H,9,11H2,1-2H3
InChIKeyGUKPQJBCNWMFOD-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.35
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one

1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one (PubChem CID 66072049) has the molecular formula C17H17FOS and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
PubChem CID66072049
Molecular FormulaC17H17FOS
Molecular Weight288.39 g/mol
Exact Mass288.10
IUPAC Name1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
SMILESCc1ccc(CC(=O)CSc2cccc(F)c2)cc1C
InChIInChI=1S/C17H17FOS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10H,9,11H2,1-2H3
InChIKeyGUKPQJBCNWMFOD-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

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Related Compounds

1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
1-(3,5-difluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 105405333
1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 104793473
1-(3-chlorophenyl)sulfanyl-3-(4-fluorophenyl)propan-2-one
CID 62646475
1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
CID 82920301
1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 115983515
1-(3-methylphenyl)-3-phenylsulfanylpropan-2-one
CID 65141813
1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-one
CID 66072466
1-(3-fluorophenyl)sulfanyloctan-2-one
CID 66071013
1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 66145984
1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 107884020
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one (CID 66072049) is 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one is Cc1ccc(CC(=O)CSc2cccc(F)c2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is GUKPQJBCNWMFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FOS/c1-12-6-7-14(8-13(12)2)9-16(19)11-20-17-5-3-4-15(18)10-17/h3-8,10H,9,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)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-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 66072049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).