1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene

C22H22 — CID 90996196

IUPAC1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C22H22/c1-15-8-10-21(17(3)12-15)19-6-5-7-20(14-19)22-11-9-16(2)13-18(22)4/h5-14H,1-4H3
InChIKeyJGOWIHSBJATBDP-UHFFFAOYSA-N
MW286.42 g/mol
LogP6.25
Rot. Bonds2

About 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene

1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene (PubChem CID 90996196) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
PubChem CID90996196
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
SMILESCc1ccc(-c2cccc(-c3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C22H22/c1-15-8-10-21(17(3)12-15)19-6-5-7-20(14-19)22-11-9-16(2)13-18(22)4/h5-14H,1-4H3
InChIKeyJGOWIHSBJATBDP-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene (CID 90996196) is 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene is Cc1ccc(-c2cccc(-c3ccc(C)cc3C)c2)c(C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene?
The InChIKey is JGOWIHSBJATBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-15-8-10-21(17(3)12-15)19-6-5-7-20(14-19)22-11-9-16(2)13-18(22)4/h5-14H,1-4H3.
What are the key properties of 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene?
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene has a molecular weight of 286.42 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene is sourced from PubChem (CID 90996196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).