1,3-dibenzyl-2-chloro-5-methylbenzene

C21H19Cl — CID 159286619

IUPAC1,3-dibenzyl-2-chloro-5-methylbenzene
SMILESCc1cc(Cc2ccccc2)c(Cl)c(Cc2ccccc2)c1
InChIInChI=1S/C21H19Cl/c1-16-12-19(14-17-8-4-2-5-9-17)21(22)20(13-16)15-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3
InChIKeyUQLRSCOTGALGJO-UHFFFAOYSA-N
MW306.84 g/mol
LogP5.83
Rot. Bonds4

About 1,3-dibenzyl-2-chloro-5-methylbenzene

1,3-dibenzyl-2-chloro-5-methylbenzene (PubChem CID 159286619) has the molecular formula C21H19Cl and a molecular weight of 306.84 g/mol. Its IUPAC name is 1,3-dibenzyl-2-chloro-5-methylbenzene.

Molecular Properties

Compound Name1,3-dibenzyl-2-chloro-5-methylbenzene
PubChem CID159286619
Molecular FormulaC21H19Cl
Molecular Weight306.84 g/mol
Exact Mass306.12
IUPAC Name1,3-dibenzyl-2-chloro-5-methylbenzene
SMILESCc1cc(Cc2ccccc2)c(Cl)c(Cc2ccccc2)c1
InChIInChI=1S/C21H19Cl/c1-16-12-19(14-17-8-4-2-5-9-17)21(22)20(13-16)15-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3
InChIKeyUQLRSCOTGALGJO-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.84
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-benzyl-6-[(3-benzyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
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1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
tris(2-benzyl-5-methylphenyl)-chlorosilane
CID 88962364
1-benzyl-2-chloro-3-methylbenzene;isocyanic acid
CID 88621188
benzylbenzene;methoxymethane
CID 161110966
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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-2-chloro-5-methylbenzene?
The IUPAC name of 1,3-dibenzyl-2-chloro-5-methylbenzene (CID 159286619) is 1,3-dibenzyl-2-chloro-5-methylbenzene.
What is the SMILES notation for 1,3-dibenzyl-2-chloro-5-methylbenzene?
The canonical SMILES for 1,3-dibenzyl-2-chloro-5-methylbenzene is Cc1cc(Cc2ccccc2)c(Cl)c(Cc2ccccc2)c1.
What is the InChIKey of 1,3-dibenzyl-2-chloro-5-methylbenzene?
The InChIKey is UQLRSCOTGALGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl/c1-16-12-19(14-17-8-4-2-5-9-17)21(22)20(13-16)15-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3.
What are the key properties of 1,3-dibenzyl-2-chloro-5-methylbenzene?
1,3-dibenzyl-2-chloro-5-methylbenzene has a molecular weight of 306.84 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-2-chloro-5-methylbenzene is sourced from PubChem (CID 159286619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).