1-benzyl-4-(2-methylbutan-2-yl)benzene

C18H22 — CID 54402390

IUPAC1-benzyl-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H22/c1-4-18(2,3)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3
InChIKeyIDJAWGFOBLNIJG-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.97
Rot. Bonds4

About 1-benzyl-4-(2-methylbutan-2-yl)benzene

1-benzyl-4-(2-methylbutan-2-yl)benzene (PubChem CID 54402390) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-benzyl-4-(2-methylbutan-2-yl)benzene.

Molecular Properties

Compound Name1-benzyl-4-(2-methylbutan-2-yl)benzene
PubChem CID54402390
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-benzyl-4-(2-methylbutan-2-yl)benzene
SMILESCCC(C)(C)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C18H22/c1-4-18(2,3)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3
InChIKeyIDJAWGFOBLNIJG-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-benzyl-4-(2-methylbutan-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-methylbutan-2-yl)benzene?
The IUPAC name of 1-benzyl-4-(2-methylbutan-2-yl)benzene (CID 54402390) is 1-benzyl-4-(2-methylbutan-2-yl)benzene.
What is the SMILES notation for 1-benzyl-4-(2-methylbutan-2-yl)benzene?
The canonical SMILES for 1-benzyl-4-(2-methylbutan-2-yl)benzene is CCC(C)(C)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-4-(2-methylbutan-2-yl)benzene?
The InChIKey is IDJAWGFOBLNIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-4-18(2,3)17-12-10-16(11-13-17)14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3.
What are the key properties of 1-benzyl-4-(2-methylbutan-2-yl)benzene?
1-benzyl-4-(2-methylbutan-2-yl)benzene has a molecular weight of 238.37 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-methylbutan-2-yl)benzene is sourced from PubChem (CID 54402390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).