4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene

C20H26O2S — CID 54063332

IUPAC4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C20H26O2S/c1-13(2)17-11-15(5)7-9-19(17)23(21,22)20-10-8-16(6)12-18(20)14(3)4/h7-14H,1-6H3
InChIKeyMBGSFRMQRWZHIQ-UHFFFAOYSA-N
MW330.49 g/mol
LogP5.38
Rot. Bonds4

About 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene

4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene (PubChem CID 54063332) has the molecular formula C20H26O2S and a molecular weight of 330.49 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene
PubChem CID54063332
Molecular FormulaC20H26O2S
Molecular Weight330.49 g/mol
Exact Mass330.17
IUPAC Name4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene
SMILESCc1ccc(S(=O)(=O)c2ccc(C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C20H26O2S/c1-13(2)17-11-15(5)7-9-19(17)23(21,22)20-10-8-16(6)12-18(20)14(3)4/h7-14H,1-6H3
InChIKeyMBGSFRMQRWZHIQ-UHFFFAOYSA-N
XLogP5.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis[(2,4-dimethylphenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696732
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)-2-propan-2-ylbenzene
CID 20697925
2-(1-isocyanoethyl)-4-methyl-1-methylsulfonylbenzene
CID 5148851
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene
CID 156775921
2-[4-amino-2,6-di(propan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 68534940
1-(diiodomethylsulfonyl)-2,4-dimethylbenzene
CID 21439611
[2-[2-(hydroxymethyl)-4-methylphenyl]sulfonyl-5-methylphenyl]methanol
CID 54465943
4-methyl-2-propan-2-ylbenzoate
CID 23454400
2-fluoro-1-(2-fluorophenyl)sulfonyl-4-methylbenzene
CID 162721199
1-(benzenesulfonyl)-2,4-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174560883
methyl-bis(4-methyl-2-propan-2-ylphenyl)bismuthane
CID 164733383
2,4-dimethyl-1-(4-methyl-2-propan-2-ylphenyl)benzene
CID 18730157

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene?
The IUPAC name of 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene (CID 54063332) is 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene.
What is the SMILES notation for 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene?
The canonical SMILES for 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene is Cc1ccc(S(=O)(=O)c2ccc(C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene?
The InChIKey is MBGSFRMQRWZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2S/c1-13(2)17-11-15(5)7-9-19(17)23(21,22)20-10-8-16(6)12-18(20)14(3)4/h7-14H,1-6H3.
What are the key properties of 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene?
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene has a molecular weight of 330.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfonyl-2-propan-2-ylbenzene is sourced from PubChem (CID 54063332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).