1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene

C21H20 — CID 141298222

IUPAC1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene
SMILESCc1ccccc1-c1ccc(C)c(C)c1-c1ccccc1
InChIInChI=1S/C21H20/c1-15-13-14-20(19-12-8-7-9-16(19)2)21(17(15)3)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyIRBVFZIDEBAFBO-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.95
Rot. Bonds2

About 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene

1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene (PubChem CID 141298222) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene
PubChem CID141298222
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene
SMILESCc1ccccc1-c1ccc(C)c(C)c1-c1ccccc1
InChIInChI=1S/C21H20/c1-15-13-14-20(19-12-8-7-9-16(19)2)21(17(15)3)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyIRBVFZIDEBAFBO-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

1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
CID 141155122
1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364
2,3-dimethyl-6-(2-methylphenyl)aniline
CID 141449762
3,4-dimethyl-2-phenylbenzenethiol
CID 20871539
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
7-(2-methylphenyl)-10,21-diphenyl-24-(2-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2(32),3(15),4(12),5(31),6,8,10,13,16(29),17,19(30),20,22,24,26-hexadecaene
CID 58927051
1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene?
The IUPAC name of 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene (CID 141298222) is 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene.
What is the SMILES notation for 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene?
The canonical SMILES for 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene is Cc1ccccc1-c1ccc(C)c(C)c1-c1ccccc1.
What is the InChIKey of 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene?
The InChIKey is IRBVFZIDEBAFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-15-13-14-20(19-12-8-7-9-16(19)2)21(17(15)3)18-10-5-4-6-11-18/h4-14H,1-3H3.
What are the key properties of 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene?
1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene 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 1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene is sourced from PubChem (CID 141298222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).