1,4-dibenzyl-2,5-dimethylbenzene

C22H22 — CID 22920047

IUPAC1,4-dibenzyl-2,5-dimethylbenzene
SMILESCc1cc(Cc2ccccc2)c(C)cc1Cc1ccccc1
InChIInChI=1S/C22H22/c1-17-13-22(16-20-11-7-4-8-12-20)18(2)14-21(17)15-19-9-5-3-6-10-19/h3-14H,15-16H2,1-2H3
InChIKeyGVTXARZQXQLUBQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.49
Rot. Bonds4

About 1,4-dibenzyl-2,5-dimethylbenzene

1,4-dibenzyl-2,5-dimethylbenzene (PubChem CID 22920047) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1,4-dibenzyl-2,5-dimethylbenzene.

Molecular Properties

Compound Name1,4-dibenzyl-2,5-dimethylbenzene
PubChem CID22920047
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1,4-dibenzyl-2,5-dimethylbenzene
SMILESCc1cc(Cc2ccccc2)c(C)cc1Cc1ccccc1
InChIInChI=1S/C22H22/c1-17-13-22(16-20-11-7-4-8-12-20)18(2)14-21(17)15-19-9-5-3-6-10-19/h3-14H,15-16H2,1-2H3
InChIKeyGVTXARZQXQLUBQ-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-benzyl-5-methylbenzene-1,2-diol
CID 146645349
1,4-dimethyl-2,5-bis[[4-(2-phenylethynyl)phenyl]methyl]benzene
CID 101132301
4-benzyl-3-methylaniline
CID 12846586
chloro-tris(2,4-dibenzyl-5-methylphenyl)silane
CID 88962437
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1-benzyl-4,5-diisocyanato-2-methylbenzene
CID 23166424
4-benzyl-5-methyl-2-phenylpyridine
CID 162707148
3-benzyl-4-methylbenzoic acid
CID 22349488
tris(3-benzyl-4-methylphenyl)-chlorosilane
CID 88962510
5-benzyl-4-methyl-2-phenylpyridine
CID 162710232
1,3-dibenzyl-2-chloro-5-methylbenzene
CID 159286619
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327

Frequently Asked Questions

What is the IUPAC name of 1,4-dibenzyl-2,5-dimethylbenzene?
The IUPAC name of 1,4-dibenzyl-2,5-dimethylbenzene (CID 22920047) is 1,4-dibenzyl-2,5-dimethylbenzene.
What is the SMILES notation for 1,4-dibenzyl-2,5-dimethylbenzene?
The canonical SMILES for 1,4-dibenzyl-2,5-dimethylbenzene is Cc1cc(Cc2ccccc2)c(C)cc1Cc1ccccc1.
What is the InChIKey of 1,4-dibenzyl-2,5-dimethylbenzene?
The InChIKey is GVTXARZQXQLUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-17-13-22(16-20-11-7-4-8-12-20)18(2)14-21(17)15-19-9-5-3-6-10-19/h3-14H,15-16H2,1-2H3.
What are the key properties of 1,4-dibenzyl-2,5-dimethylbenzene?
1,4-dibenzyl-2,5-dimethylbenzene has a molecular weight of 286.42 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibenzyl-2,5-dimethylbenzene is sourced from PubChem (CID 22920047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).