1-(4-phenacylsulfanylphenyl)propan-1-one

C17H16O2S — CID 82164519

IUPAC1-(4-phenacylsulfanylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(SCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O2S/c1-2-16(18)14-8-10-15(11-9-14)20-12-17(19)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyBXUXEZPKHYAKQB-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.25
Rot. Bonds6

About 1-(4-phenacylsulfanylphenyl)propan-1-one

1-(4-phenacylsulfanylphenyl)propan-1-one (PubChem CID 82164519) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-phenacylsulfanylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-phenacylsulfanylphenyl)propan-1-one
PubChem CID82164519
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name1-(4-phenacylsulfanylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(SCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H16O2S/c1-2-16(18)14-8-10-15(11-9-14)20-12-17(19)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyBXUXEZPKHYAKQB-UHFFFAOYSA-N
XLogP4.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
1-phenyl(111C)propan-1-one
CID 11159350
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
1-phenyl-2-[4-(4-sulfanylphenyl)phenyl]sulfanylethanone
CID 175876959
N-(2-methylphenyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 94779353
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
1-(3-bromophenyl)-2-phenylsulfanylethanone
CID 43413344
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302
N-[4-[2-(4-methoxyphenyl)sulfanylacetyl]phenyl]benzamide
CID 8673492
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
2-ethylsulfanyl-1-phenylethanone
CID 2776060

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenacylsulfanylphenyl)propan-1-one?
The IUPAC name of 1-(4-phenacylsulfanylphenyl)propan-1-one (CID 82164519) is 1-(4-phenacylsulfanylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-phenacylsulfanylphenyl)propan-1-one?
The canonical SMILES for 1-(4-phenacylsulfanylphenyl)propan-1-one is CCC(=O)c1ccc(SCC(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenacylsulfanylphenyl)propan-1-one?
The InChIKey is BXUXEZPKHYAKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2S/c1-2-16(18)14-8-10-15(11-9-14)20-12-17(19)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of 1-(4-phenacylsulfanylphenyl)propan-1-one?
1-(4-phenacylsulfanylphenyl)propan-1-one has a molecular weight of 284.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenacylsulfanylphenyl)propan-1-one is sourced from PubChem (CID 82164519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).