2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one

C18H20OS — CID 43218535

IUPAC2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)SCc2ccccc2)cc1
InChIInChI=1S/C18H20OS/c1-3-15-9-11-17(12-10-15)18(19)14(2)20-13-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyXIUWFHNJYNDCNF-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.75
Rot. Bonds6

About 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one

2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one (PubChem CID 43218535) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one
PubChem CID43218535
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one
SMILESCCc1ccc(C(=O)C(C)SCc2ccccc2)cc1
InChIInChI=1S/C18H20OS/c1-3-15-9-11-17(12-10-15)18(19)14(2)20-13-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3
InChIKeyXIUWFHNJYNDCNF-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butylsulfanyl-1-(4-ethylphenyl)propan-1-one
CID 43801389
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)propan-1-one
CID 115569366
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
2-benzylsulfanyl-1-phenylbutan-1-one
CID 13220723
1-(4-ethylphenyl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 43412165
methyl 3-[1-(4-ethylphenyl)-1-oxopropan-2-yl]sulfanylpropanoate
CID 43218547
1-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]propan-1-one
CID 166402330
butane-2,3-dione;ethylbenzene
CID 174875574
(2R)-2-benzylsulfanylpropanehydrazide
CID 28840047
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
N-(1-aminopropan-2-yl)-2-benzylsulfanyl-N-methylpropanamide
CID 119581950

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one?
The IUPAC name of 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one (CID 43218535) is 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one.
What is the SMILES notation for 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one?
The canonical SMILES for 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one is CCc1ccc(C(=O)C(C)SCc2ccccc2)cc1.
What is the InChIKey of 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one?
The InChIKey is XIUWFHNJYNDCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-3-15-9-11-17(12-10-15)18(19)14(2)20-13-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one?
2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one has a molecular weight of 284.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-1-(4-ethylphenyl)propan-1-one is sourced from PubChem (CID 43218535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).