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

C22H26 — CID 161197560

IUPACbenzene;ethane;1-methyl-4-(4-methylphenyl)benzene
SMILESCC.Cc1ccc(-c2ccc(C)cc2)cc1.c1ccccc1
InChIInChI=1S/C14H14.C6H6.C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2-4-6-5-3-1;1-2/h3-10H,1-2H3;1-6H;1-2H3
InChIKeyUUNXHGPAYHBGIR-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.68
Rot. Bonds1

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

benzene;ethane;1-methyl-4-(4-methylphenyl)benzene (PubChem CID 161197560) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is benzene;ethane;1-methyl-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Namebenzene;ethane;1-methyl-4-(4-methylphenyl)benzene
PubChem CID161197560
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Namebenzene;ethane;1-methyl-4-(4-methylphenyl)benzene
SMILESCC.Cc1ccc(-c2ccc(C)cc2)cc1.c1ccccc1
InChIInChI=1S/C14H14.C6H6.C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2-4-6-5-3-1;1-2/h3-10H,1-2H3;1-6H;1-2H3
InChIKeyUUNXHGPAYHBGIR-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzene;ethane;1-methyl-4-(4-methylphenyl)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

ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
benzene;bis(1,4-xylene)
CID 159472747
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
1,1'-biphenyl;toluene
CID 18366440
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1-methyl-4-(4-methylphenyl)benzene?
The IUPAC name of benzene;ethane;1-methyl-4-(4-methylphenyl)benzene (CID 161197560) is benzene;ethane;1-methyl-4-(4-methylphenyl)benzene.
What is the SMILES notation for benzene;ethane;1-methyl-4-(4-methylphenyl)benzene?
The canonical SMILES for benzene;ethane;1-methyl-4-(4-methylphenyl)benzene is CC.Cc1ccc(-c2ccc(C)cc2)cc1.c1ccccc1.
What is the InChIKey of benzene;ethane;1-methyl-4-(4-methylphenyl)benzene?
The InChIKey is UUNXHGPAYHBGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C6H6.C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2-4-6-5-3-1;1-2/h3-10H,1-2H3;1-6H;1-2H3.
What are the key properties of benzene;ethane;1-methyl-4-(4-methylphenyl)benzene?
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene has a molecular weight of 290.45 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1-methyl-4-(4-methylphenyl)benzene is sourced from PubChem (CID 161197560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).