1-benzyl-2-[(2-methylphenyl)methyl]benzene

C21H20 — CID 15634633

IUPAC1-benzyl-2-[(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H20/c1-17-9-5-6-12-19(17)16-21-14-8-7-13-20(21)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeySMOZJCPUZPHHKQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.18
Rot. Bonds4

About 1-benzyl-2-[(2-methylphenyl)methyl]benzene

1-benzyl-2-[(2-methylphenyl)methyl]benzene (PubChem CID 15634633) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-benzyl-2-[(2-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-benzyl-2-[(2-methylphenyl)methyl]benzene
PubChem CID15634633
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1-benzyl-2-[(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C21H20/c1-17-9-5-6-12-19(17)16-21-14-8-7-13-20(21)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKeySMOZJCPUZPHHKQ-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-benzyl-2-[(2-methylphenyl)methyl]benzene?
The IUPAC name of 1-benzyl-2-[(2-methylphenyl)methyl]benzene (CID 15634633) is 1-benzyl-2-[(2-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-benzyl-2-[(2-methylphenyl)methyl]benzene?
The canonical SMILES for 1-benzyl-2-[(2-methylphenyl)methyl]benzene is Cc1ccccc1Cc1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[(2-methylphenyl)methyl]benzene?
The InChIKey is SMOZJCPUZPHHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-17-9-5-6-12-19(17)16-21-14-8-7-13-20(21)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3.
What are the key properties of 1-benzyl-2-[(2-methylphenyl)methyl]benzene?
1-benzyl-2-[(2-methylphenyl)methyl]benzene 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-benzyl-2-[(2-methylphenyl)methyl]benzene is sourced from PubChem (CID 15634633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).