1-benzyl-4-methyl-2-propan-2-ylbenzene

C17H20 — CID 59400391

IUPAC1-benzyl-4-methyl-2-propan-2-ylbenzene
SMILESCc1ccc(Cc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C17H20/c1-13(2)17-11-14(3)9-10-16(17)12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChIKeyROVDMZPCOHXFOE-UHFFFAOYSA-N
MW224.35 g/mol
LogP4.71
Rot. Bonds3

About 1-benzyl-4-methyl-2-propan-2-ylbenzene

1-benzyl-4-methyl-2-propan-2-ylbenzene (PubChem CID 59400391) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-benzyl-4-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-benzyl-4-methyl-2-propan-2-ylbenzene
PubChem CID59400391
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1-benzyl-4-methyl-2-propan-2-ylbenzene
SMILESCc1ccc(Cc2ccccc2)c(C(C)C)c1
InChIInChI=1S/C17H20/c1-13(2)17-11-14(3)9-10-16(17)12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChIKeyROVDMZPCOHXFOE-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-benzyl-4-methyl-2-propan-2-ylbenzene (CID 59400391) is 1-benzyl-4-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-benzyl-4-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-benzyl-4-methyl-2-propan-2-ylbenzene is Cc1ccc(Cc2ccccc2)c(C(C)C)c1.
What is the InChIKey of 1-benzyl-4-methyl-2-propan-2-ylbenzene?
The InChIKey is ROVDMZPCOHXFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-13(2)17-11-14(3)9-10-16(17)12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-benzyl-4-methyl-2-propan-2-ylbenzene?
1-benzyl-4-methyl-2-propan-2-ylbenzene has a molecular weight of 224.35 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 59400391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).