1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene

C28H28O2S — CID 158182934

IUPAC1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14O2S.C14H14/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3;3-10H,1-2H3
InChIKeyFYUWIEKNWUPJRS-UHFFFAOYSA-N
MW428.60 g/mol
LogP7.11
Rot. Bonds3

About 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene

1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene (PubChem CID 158182934) has the molecular formula C28H28O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
PubChem CID158182934
Molecular FormulaC28H28O2S
Molecular Weight428.60 g/mol
Exact Mass428.18
IUPAC Name1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
SMILESCc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14O2S.C14H14/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3;3-10H,1-2H3
InChIKeyFYUWIEKNWUPJRS-UHFFFAOYSA-N
XLogP7.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The IUPAC name of 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene (CID 158182934) is 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene is Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
The InChIKey is FYUWIEKNWUPJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S.C14H14/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3;3-10H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene?
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene has a molecular weight of 428.60 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene is sourced from PubChem (CID 158182934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).