1-benzyl-2-(2-ethylphenyl)benzene

C21H20 — CID 20510866

IUPAC1-benzyl-2-(2-ethylphenyl)benzene
SMILESCCc1ccccc1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H20/c1-2-18-12-6-8-14-20(18)21-15-9-7-13-19(21)16-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3
InChIKeySRKSGJXNZQPITC-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.51
Rot. Bonds4

About 1-benzyl-2-(2-ethylphenyl)benzene

1-benzyl-2-(2-ethylphenyl)benzene (PubChem CID 20510866) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-benzyl-2-(2-ethylphenyl)benzene.

Molecular Properties

Compound Name1-benzyl-2-(2-ethylphenyl)benzene
PubChem CID20510866
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1-benzyl-2-(2-ethylphenyl)benzene
SMILESCCc1ccccc1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C21H20/c1-2-18-12-6-8-14-20(18)21-15-9-7-13-19(21)16-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3
InChIKeySRKSGJXNZQPITC-UHFFFAOYSA-N
XLogP5.51
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 ≤ 55.51
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-ethylphenyl)benzene?
The IUPAC name of 1-benzyl-2-(2-ethylphenyl)benzene (CID 20510866) is 1-benzyl-2-(2-ethylphenyl)benzene.
What is the SMILES notation for 1-benzyl-2-(2-ethylphenyl)benzene?
The canonical SMILES for 1-benzyl-2-(2-ethylphenyl)benzene is CCc1ccccc1-c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-ethylphenyl)benzene?
The InChIKey is SRKSGJXNZQPITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-2-18-12-6-8-14-20(18)21-15-9-7-13-19(21)16-17-10-4-3-5-11-17/h3-15H,2,16H2,1H3.
What are the key properties of 1-benzyl-2-(2-ethylphenyl)benzene?
1-benzyl-2-(2-ethylphenyl)benzene has a molecular weight of 272.39 g/mol, XLogP of 5.51, 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-ethylphenyl)benzene is sourced from PubChem (CID 20510866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).