1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one

C17H17FO2S — CID 64635745

IUPAC1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
SMILESCCc1ccc(C(=O)C(C)S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO2S/c1-3-13-4-6-14(7-5-13)17(19)12(2)21(20)16-10-8-15(18)9-11-16/h4-12H,3H2,1-2H3
InChIKeyJPNQSJPPQFBWOZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.77
Rot. Bonds5

About 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one

1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one (PubChem CID 64635745) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
PubChem CID64635745
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
SMILESCCc1ccc(C(=O)C(C)S(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO2S/c1-3-13-4-6-14(7-5-13)17(19)12(2)21(20)16-10-8-15(18)9-11-16/h4-12H,3H2,1-2H3
InChIKeyJPNQSJPPQFBWOZ-UHFFFAOYSA-N
XLogP3.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-ethylsulfinylpropan-1-one
CID 64639873
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-amine
CID 64657896
N,N-diethyl-2-(4-fluorophenyl)sulfinylpropanamide
CID 63793163
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
1-ethyl-4-[(R)-propan-2-ylsulfinyl]benzene
CID 146269856
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017
2-(4-chlorophenyl)sulfinyl-1-(3,4-difluorophenyl)propan-1-one
CID 64637415
2-tert-butylsulfinyl-1-(4-fluorophenyl)propan-1-one
CID 64638472
3-(4-ethylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334247
2-(4-fluorophenyl)sulfinyl-N-pentan-2-ylpropanamide
CID 63792090
2-(4-fluorophenyl)sulfinyl-N-propan-2-ylpropanamide
CID 63791044

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one (CID 64635745) is 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one is CCc1ccc(C(=O)C(C)S(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one?
The InChIKey is JPNQSJPPQFBWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-3-13-4-6-14(7-5-13)17(19)12(2)21(20)16-10-8-15(18)9-11-16/h4-12H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one?
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one has a molecular weight of 304.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one is sourced from PubChem (CID 64635745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).