1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene

C21H20 — CID 144785199

IUPAC1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(C)c2-c2ccccc2C)cc1
InChIInChI=1S/C21H20/c1-15-11-13-18(14-12-15)20-10-6-8-17(3)21(20)19-9-5-4-7-16(19)2/h4-14H,1-3H3
InChIKeyUJWAWCJYXQBFSQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.95
Rot. Bonds2

About 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene

1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene (PubChem CID 144785199) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
PubChem CID144785199
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(C)c2-c2ccccc2C)cc1
InChIInChI=1S/C21H20/c1-15-11-13-18(14-12-15)20-10-6-8-17(3)21(20)19-9-5-4-7-16(19)2/h4-14H,1-3H3
InChIKeyUJWAWCJYXQBFSQ-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346
1-cyclobutyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 156827095
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
1-methyl-4,8-diphenylazulene
CID 86056773
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
[3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane
CID 151240435
4-(4-aminophenyl)-3-(2-methylphenyl)benzene-1,2-diamine
CID 141121042
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene (CID 144785199) is 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene is Cc1ccc(-c2cccc(C)c2-c2ccccc2C)cc1.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene?
The InChIKey is UJWAWCJYXQBFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-15-11-13-18(14-12-15)20-10-6-8-17(3)21(20)19-9-5-4-7-16(19)2/h4-14H,1-3H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene?
1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene has a molecular weight of 272.39 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene is sourced from PubChem (CID 144785199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).