1,3-dibenzyl-5-methylbenzene

C21H20 — CID 15076827

IUPAC1,3-dibenzyl-5-methylbenzene
SMILESCc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1
InChIInChI=1S/C21H20/c1-17-12-20(14-18-8-4-2-5-9-18)16-21(13-17)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3
InChIKeyGSWTZJWZZANYAZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.18
Rot. Bonds4

About 1,3-dibenzyl-5-methylbenzene

1,3-dibenzyl-5-methylbenzene (PubChem CID 15076827) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,3-dibenzyl-5-methylbenzene.

Molecular Properties

Compound Name1,3-dibenzyl-5-methylbenzene
PubChem CID15076827
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,3-dibenzyl-5-methylbenzene
SMILESCc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1
InChIInChI=1S/C21H20/c1-17-12-20(14-18-8-4-2-5-9-18)16-21(13-17)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3
InChIKeyGSWTZJWZZANYAZ-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 1,3-dibenzyl-5-methylbenzene?
The IUPAC name of 1,3-dibenzyl-5-methylbenzene (CID 15076827) is 1,3-dibenzyl-5-methylbenzene.
What is the SMILES notation for 1,3-dibenzyl-5-methylbenzene?
The canonical SMILES for 1,3-dibenzyl-5-methylbenzene is Cc1cc(Cc2ccccc2)cc(Cc2ccccc2)c1.
What is the InChIKey of 1,3-dibenzyl-5-methylbenzene?
The InChIKey is GSWTZJWZZANYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-17-12-20(14-18-8-4-2-5-9-18)16-21(13-17)15-19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3.
What are the key properties of 1,3-dibenzyl-5-methylbenzene?
1,3-dibenzyl-5-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 1,3-dibenzyl-5-methylbenzene is sourced from PubChem (CID 15076827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).