1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene

C17H17FO2S — CID 123694254

IUPAC1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene
SMILESCC=Cc1cc(-c2ccc(S(C)(=O)=O)cc2)c(F)cc1C
InChIInChI=1S/C17H17FO2S/c1-4-5-14-11-16(17(18)10-12(14)2)13-6-8-15(9-7-13)21(3,19)20/h4-11H,1-3H3
InChIKeyFHZLBQVUYDDVHT-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.24
Rot. Bonds3

About 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene

1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene (PubChem CID 123694254) has the molecular formula C17H17FO2S and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene.

Molecular Properties

Compound Name1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene
PubChem CID123694254
Molecular FormulaC17H17FO2S
Molecular Weight304.39 g/mol
Exact Mass304.09
IUPAC Name1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene
SMILESCC=Cc1cc(-c2ccc(S(C)(=O)=O)cc2)c(F)cc1C
InChIInChI=1S/C17H17FO2S/c1-4-5-14-11-16(17(18)10-12(14)2)13-6-8-15(9-7-13)21(3,19)20/h4-11H,1-3H3
InChIKeyFHZLBQVUYDDVHT-UHFFFAOYSA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1,3-difluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451001
1,2,3-trifluoro-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451159
1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201
4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
CID 126737250
1-ethyl-4-methylsulfonyl-2-[(Z)-prop-1-enyl]benzene
CID 142804852
1-fluoro-2-methyl-4-[2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]benzene
CID 16754440
1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene
CID 170552806
1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
CID 23542780
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699
5-[4,5-difluoro-2-(4-methylsulfonylphenyl)phenyl]-1,2,3-trimethoxybenzene
CID 23451125
N-[4-(2,4-difluorophenyl)-3-(4-methylsulfonylphenyl)phenyl]methanesulfonamide
CID 139699336
3-(4-fluorophenyl)-5-iodo-2-(4-methylsulfonylphenyl)-1H-pyrrole
CID 11743998

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene?
The IUPAC name of 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene (CID 123694254) is 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene.
What is the SMILES notation for 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene?
The canonical SMILES for 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene is CC=Cc1cc(-c2ccc(S(C)(=O)=O)cc2)c(F)cc1C.
What is the InChIKey of 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene?
The InChIKey is FHZLBQVUYDDVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2S/c1-4-5-14-11-16(17(18)10-12(14)2)13-6-8-15(9-7-13)21(3,19)20/h4-11H,1-3H3.
What are the key properties of 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene?
1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene has a molecular weight of 304.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methyl-2-(4-methylsulfonylphenyl)-4-prop-1-enylbenzene is sourced from PubChem (CID 123694254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).