4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene

C21H20O2S — CID 126737250

IUPAC4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
SMILESCc1ccc(-c2ccc(C)cc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H20O2S/c1-15-4-7-17(8-5-15)20-13-6-16(2)14-21(20)18-9-11-19(12-10-18)24(3,22)23/h4-14H,1-3H3
InChIKeyZXNIKHCXNILCHU-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.04
Rot. Bonds3

About 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene

4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene (PubChem CID 126737250) has the molecular formula C21H20O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
PubChem CID126737250
Molecular FormulaC21H20O2S
Molecular Weight336.46 g/mol
Exact Mass336.12
IUPAC Name4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
SMILESCc1ccc(-c2ccc(C)cc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C21H20O2S/c1-15-4-7-17(8-5-15)20-13-6-16(2)14-21(20)18-9-11-19(12-10-18)24(3,22)23/h4-14H,1-3H3
InChIKeyZXNIKHCXNILCHU-UHFFFAOYSA-N
XLogP5.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine
CID 15380940
1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201
1-chloro-4-methyl-2-(3-methylsulfonylphenyl)benzene
CID 141198663
dichloromethane;1-methyl-4-methylsulfonylbenzene
CID 175095378
3-chloro-4-[4-(4-methylsulfonylphenyl)phenyl]aniline
CID 118623053
1-fluoro-2-methyl-4-[2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]benzene
CID 16754440
2-chloro-4-isothiocyanato-1-(4-methylsulfonylphenyl)benzene
CID 118625260
1-methyl-4-(4-methylphenyl)-3-(4-methylsulfonylphenyl)pyrazole
CID 19355257
5-methyl-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694484
4-methyl-1-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]benzene
CID 58892414
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)benzene
CID 23451389
5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine
CID 82379613

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene?
The IUPAC name of 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene (CID 126737250) is 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene is Cc1ccc(-c2ccc(C)cc2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene?
The InChIKey is ZXNIKHCXNILCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2S/c1-15-4-7-17(8-5-15)20-13-6-16(2)14-21(20)18-9-11-19(12-10-18)24(3,22)23/h4-14H,1-3H3.
What are the key properties of 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene?
4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene has a molecular weight of 336.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 126737250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).