2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone

C17H18OS — CID 114963469

IUPAC2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C17H18OS/c1-3-13-4-6-14(7-5-13)12-17(18)15-8-10-16(19-2)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyKPHDOQVZZBHTRL-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.40
Rot. Bonds5

About 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone

2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone (PubChem CID 114963469) has the molecular formula C17H18OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
PubChem CID114963469
Molecular FormulaC17H18OS
Molecular Weight270.40 g/mol
Exact Mass270.11
IUPAC Name2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C17H18OS/c1-3-13-4-6-14(7-5-13)12-17(18)15-8-10-16(19-2)11-9-15/h4-11H,3,12H2,1-2H3
InChIKeyKPHDOQVZZBHTRL-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
CID 24505212
1-ethyl-4-methylsulfanylbenzene
CID 142218139
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 114967820
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114964825
1-ethyl-4-methylsulfanylbenzene;methanamine
CID 168997767
(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215685
1,9-bis(4-methylsulfanylphenyl)nonane-1,9-dione
CID 18183648
1-(4-methylsulfanylphenyl)-2-propylsulfanylethanone
CID 43802078
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
2-(4-ethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409758
4-hydroxy-1-(4-methylsulfanylphenyl)butan-1-one
CID 86219757

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone (CID 114963469) is 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone is CCc1ccc(CC(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone?
The InChIKey is KPHDOQVZZBHTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18OS/c1-3-13-4-6-14(7-5-13)12-17(18)15-8-10-16(19-2)11-9-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone?
2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone has a molecular weight of 270.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 114963469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).