2,4-dibenzyl-1-methylbenzene

C21H20 — CID 4121728

IUPAC2,4-dibenzyl-1-methylbenzene
SMILESCc1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C21H20/c1-17-12-13-20(14-18-8-4-2-5-9-18)16-21(17)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3
InChIKeyVHDODGPPIRLFDP-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.18
Rot. Bonds4

About 2,4-dibenzyl-1-methylbenzene

2,4-dibenzyl-1-methylbenzene (PubChem CID 4121728) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,4-dibenzyl-1-methylbenzene.

Molecular Properties

Compound Name2,4-dibenzyl-1-methylbenzene
PubChem CID4121728
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name2,4-dibenzyl-1-methylbenzene
SMILESCc1ccc(Cc2ccccc2)cc1Cc1ccccc1
InChIInChI=1S/C21H20/c1-17-12-13-20(14-18-8-4-2-5-9-18)16-21(17)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3
InChIKeyVHDODGPPIRLFDP-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzyl-1-methylbenzene?
The IUPAC name of 2,4-dibenzyl-1-methylbenzene (CID 4121728) is 2,4-dibenzyl-1-methylbenzene.
What is the SMILES notation for 2,4-dibenzyl-1-methylbenzene?
The canonical SMILES for 2,4-dibenzyl-1-methylbenzene is Cc1ccc(Cc2ccccc2)cc1Cc1ccccc1.
What is the InChIKey of 2,4-dibenzyl-1-methylbenzene?
The InChIKey is VHDODGPPIRLFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-17-12-13-20(14-18-8-4-2-5-9-18)16-21(17)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3.
What are the key properties of 2,4-dibenzyl-1-methylbenzene?
2,4-dibenzyl-1-methylbenzene has a molecular weight of 272.39 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzyl-1-methylbenzene is sourced from PubChem (CID 4121728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).