1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one

C16H15FO2S — CID 64640763

IUPAC1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one
SMILESCc1cccc(S(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO2S/c1-12-3-2-4-15(11-12)20(19)10-9-16(18)13-5-7-14(17)8-6-13/h2-8,11H,9-10H2,1H3
InChIKeyFQZOGQXSTGOJRJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.51
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one

1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one (PubChem CID 64640763) has the molecular formula C16H15FO2S and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one
PubChem CID64640763
Molecular FormulaC16H15FO2S
Molecular Weight290.36 g/mol
Exact Mass290.08
IUPAC Name1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one
SMILESCc1cccc(S(=O)CCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FO2S/c1-12-3-2-4-15(11-12)20(19)10-9-16(18)13-5-7-14(17)8-6-13/h2-8,11H,9-10H2,1H3
InChIKeyFQZOGQXSTGOJRJ-UHFFFAOYSA-N
XLogP3.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
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tert-butyl 3-(3-methylphenyl)sulfinylpropanoate
CID 116662502
2-(3,4-difluorophenyl)sulfinyl-1-(3-methylphenyl)ethanone
CID 64638502
4-(3-methylphenyl)sulfinylbutan-2-amine
CID 64654610
4-(3-methylphenyl)sulfinylbutan-1-amine
CID 81333367
3-(2,5-dimethylphenyl)-1-(4-fluorophenyl)propan-1-one
CID 24726343
4-fluoro-2-[(3-methylphenyl)sulfinylmethyl]benzonitrile
CID 107909404
N-(4-fluorophenyl)-3-methylbenzenesulfinamide
CID 170976971
3-(2,4-dimethylphenyl)sulfinyl-1-phenylpropan-1-one
CID 116694903
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
1-methyl-3-[(S)-3-propan-2-yloxypropylsulfinyl]benzene
CID 99859224

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one (CID 64640763) is 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one is Cc1cccc(S(=O)CCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one?
The InChIKey is FQZOGQXSTGOJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2S/c1-12-3-2-4-15(11-12)20(19)10-9-16(18)13-5-7-14(17)8-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one?
1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one has a molecular weight of 290.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methylphenyl)sulfinylpropan-1-one is sourced from PubChem (CID 64640763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).