1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene

C20H18OS — CID 102101536

IUPAC1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
SMILESCc1ccc(S(=O)c2ccccc2-c2ccccc2C)cc1
InChIInChI=1S/C20H18OS/c1-15-11-13-17(14-12-15)22(21)20-10-6-5-9-19(20)18-8-4-3-7-16(18)2/h3-14H,1-2H3
InChIKeyPMQATHVGRUSXMB-UHFFFAOYSA-N
MW306.43 g/mol
LogP5.14
Rot. Bonds3

About 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene

1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene (PubChem CID 102101536) has the molecular formula C20H18OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
PubChem CID102101536
Molecular FormulaC20H18OS
Molecular Weight306.43 g/mol
Exact Mass306.11
IUPAC Name1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene
SMILESCc1ccc(S(=O)c2ccccc2-c2ccccc2C)cc1
InChIInChI=1S/C20H18OS/c1-15-11-13-17(14-12-15)22(21)20-10-6-5-9-19(20)18-8-4-3-7-16(18)2/h3-14H,1-2H3
InChIKeyPMQATHVGRUSXMB-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(2-methylsulfinylphenyl)benzene
CID 67317752
1,2,3,4,5-pentafluoro-6-[(E)-2-[3-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]phenyl]ethenyl]benzene
CID 132534081
1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene
CID 165348232
trimethyl-[[2-(4-methylphenyl)sulfinylphenyl]methyl]silane
CID 85436146
1-(4-methylphenyl)sulfinyl-2-propylbenzene
CID 85436148
1-[(1R)-1-bromoethyl]-2-(4-methylphenyl)sulfinylbenzene
CID 102282736
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
2-[4-[4-(benzenesulfinyl)phenyl]phenyl]sulfinyl-1,4-dimethylbenzene
CID 59167193
(4R)-4-tert-butyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138551066
2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 154727025
(4S)-4-tert-butyl-2-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 138551003
1-fluoro-3-(4-methylphenyl)sulfinyl-2-phenylbenzene
CID 119025559

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene?
The IUPAC name of 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene (CID 102101536) is 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene.
What is the SMILES notation for 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene?
The canonical SMILES for 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene is Cc1ccc(S(=O)c2ccccc2-c2ccccc2C)cc1.
What is the InChIKey of 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene?
The InChIKey is PMQATHVGRUSXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18OS/c1-15-11-13-17(14-12-15)22(21)20-10-6-5-9-19(20)18-8-4-3-7-16(18)2/h3-14H,1-2H3.
What are the key properties of 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene?
1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene has a molecular weight of 306.43 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(4-methylphenyl)sulfinylphenyl]benzene is sourced from PubChem (CID 102101536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).