1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene

C21H20 — CID 20704293

IUPAC1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C21H20/c1-15-4-7-18(8-5-15)19-10-12-20(13-11-19)21-9-6-16(2)17(3)14-21/h4-14H,1-3H3
InChIKeyIPKDUMTZLNMWRX-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.95
Rot. Bonds2

About 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene

1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene (PubChem CID 20704293) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
PubChem CID20704293
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
SMILESCc1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1
InChIInChI=1S/C21H20/c1-15-4-7-18(8-5-15)19-10-12-20(13-11-19)21-9-6-16(2)17(3)14-21/h4-14H,1-3H3
InChIKeyIPKDUMTZLNMWRX-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

Analyze 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
1,2,4-trimethylbenzene
CID 7247
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
4-(4-isocyanophenyl)-1,2-dimethylbenzene
CID 146830010
4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenyl)phenyl]-1,2-dimethylbenzene
CID 54517400
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
2-ethyl-1-methyl-4-(4-methylphenyl)benzene
CID 59090118
5-(3,4-dimethylphenyl)benzene-1,2,3-triol
CID 101299815
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
CID 123136977
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene?
The IUPAC name of 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene (CID 20704293) is 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene.
What is the SMILES notation for 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene?
The canonical SMILES for 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene is Cc1ccc(-c2ccc(-c3ccc(C)c(C)c3)cc2)cc1.
What is the InChIKey of 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene?
The InChIKey is IPKDUMTZLNMWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-15-4-7-18(8-5-15)19-10-12-20(13-11-19)21-9-6-16(2)17(3)14-21/h4-14H,1-3H3.
What are the key properties of 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene?
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]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 1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene is sourced from PubChem (CID 20704293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).