1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene

C26H30 — CID 163531384

IUPAC1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)c1ccc(Cc2ccc(C(C)(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30/c1-20(2)24-14-10-21(11-15-24)18-22-12-16-25(17-13-22)26(3,4)19-23-8-6-5-7-9-23/h5-17,20H,18-19H2,1-4H3
InChIKeyDTHFQSUBDXNZAH-UHFFFAOYSA-N
MW342.53 g/mol
LogP6.92
Rot. Bonds6

About 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene

1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene (PubChem CID 163531384) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene
PubChem CID163531384
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)c1ccc(Cc2ccc(C(C)(C)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C26H30/c1-20(2)24-14-10-21(11-15-24)18-22-12-16-25(17-13-22)26(3,4)19-23-8-6-5-7-9-23/h5-17,20H,18-19H2,1-4H3
InChIKeyDTHFQSUBDXNZAH-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-methyl-2-phenylpropyl)-4-propan-2-ylbenzene
CID 57304715
1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene
CID 170265262
1-(2-methyl-2-phenylpropyl)-3-propan-2-ylbenzene
CID 145484957
1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene
CID 146530214
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
N-[[4-[1-iodo-1-[4-[(4-propan-2-ylphenyl)methyl]phenyl]ethyl]phenyl]methyl]aniline
CID 134379030
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
1-(4-benzylphenyl)ethanamine
CID 3962419
2-fluoro-2-phenyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 115918116
2-(4-methylphenyl)-1-(4-propan-2-ylphenyl)propan-2-amine
CID 63408137
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
1,4-dibenzylbenzene;ethane
CID 91406396

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene?
The IUPAC name of 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene (CID 163531384) is 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene.
What is the SMILES notation for 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene?
The canonical SMILES for 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene is CC(C)c1ccc(Cc2ccc(C(C)(C)Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene?
The InChIKey is DTHFQSUBDXNZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-20(2)24-14-10-21(11-15-24)18-22-12-16-25(17-13-22)26(3,4)19-23-8-6-5-7-9-23/h5-17,20H,18-19H2,1-4H3.
What are the key properties of 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene?
1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene has a molecular weight of 342.53 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene is sourced from PubChem (CID 163531384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).