2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene

C26H30 — CID 57172453

IUPAC2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene
SMILESCCc1cccc(CC)c1CC(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C26H30/c1-5-21-8-7-9-22(6-2)25(21)18-26(23-14-10-19(3)11-15-23)24-16-12-20(4)13-17-24/h7-17,26H,5-6,18H2,1-4H3
InChIKeySVXQEHHCXRPCCN-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.80
Rot. Bonds6

About 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene

2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene (PubChem CID 57172453) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene.

Molecular Properties

Compound Name2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene
PubChem CID57172453
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene
SMILESCCc1cccc(CC)c1CC(c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C26H30/c1-5-21-8-7-9-22(6-2)25(21)18-26(23-14-10-19(3)11-15-23)24-16-12-20(4)13-17-24/h7-17,26H,5-6,18H2,1-4H3
InChIKeySVXQEHHCXRPCCN-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,6-diethylphenol);1,4-xylene
CID 160641052
1-[1-isocyanato-2-(2-methylphenyl)ethyl]-4-methylbenzene
CID 82044715
1,3,5-trimethyl-2-[1-(4-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]benzene
CID 145161714
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene
CID 155712803
(2-ethyl-6-methylphenyl)methylphosphanium bromide
CID 68944646
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
benzene;bis(1,4-xylene)
CID 159472747
2-ethyl-6-methylbenzaldehyde;1,4-xylene
CID 143282659
CID 144815287
CID 144815287
butane;ethane;1-methyl-4-[1-(4-methylphenyl)ethyl]benzene
CID 142590749
1,3-diethyl-2-(2-phenylethyl)benzene
CID 14325369

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene?
The IUPAC name of 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene (CID 57172453) is 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene.
What is the SMILES notation for 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene?
The canonical SMILES for 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene is CCc1cccc(CC)c1CC(c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene?
The InChIKey is SVXQEHHCXRPCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-5-21-8-7-9-22(6-2)25(21)18-26(23-14-10-19(3)11-15-23)24-16-12-20(4)13-17-24/h7-17,26H,5-6,18H2,1-4H3.
What are the key properties of 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene?
2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene has a molecular weight of 342.53 g/mol, XLogP of 6.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(4-methylphenyl)ethyl]-1,3-diethylbenzene is sourced from PubChem (CID 57172453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).