1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one

C18H20OS — CID 24725990

IUPAC1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(CCC(=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H20OS/c1-13-10-14(2)12-16(11-13)18(19)9-6-15-4-7-17(20-3)8-5-15/h4-5,7-8,10-12H,6,9H2,1-3H3
InChIKeyIBAKEHZVWJAYBD-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.84
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one

1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one (PubChem CID 24725990) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
PubChem CID24725990
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
SMILESCSc1ccc(CCC(=O)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H20OS/c1-13-10-14(2)12-16(11-13)18(19)9-6-15-4-7-17(20-3)8-5-15/h4-5,7-8,10-12H,6,9H2,1-3H3
InChIKeyIBAKEHZVWJAYBD-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-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

1,3-bis(3,5-dimethylphenyl)propan-1-one
CID 24726508
3-(4-methylphenyl)-1-(3,4,5-trifluorophenyl)propan-1-one
CID 24725759
3-(3-chlorophenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726042
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041
3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one
CID 116605567
1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione
CID 18183648
3-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 24725996
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114963469
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116
1-cyclobutyl-3-(4-methylsulfanylphenyl)propan-1-one
CID 24726014

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one (CID 24725990) is 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one is CSc1ccc(CCC(=O)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one?
The InChIKey is IBAKEHZVWJAYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-13-10-14(2)12-16(11-13)18(19)9-6-15-4-7-17(20-3)8-5-15/h4-5,7-8,10-12H,6,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one?
1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one has a molecular weight of 284.42 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 24725990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).